SCHEMBL3067388

SCHEMBL3067388

C1=PPOc2ccc3ccccc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2A6 P11509 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPRT1 P00492 1/20 0.37
CYP1A2 P05177 3/20 0.35
GPR84 Q9NQS5 1/20 0.35
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
KDM4E B2RXH2 3/20 0.34
GLA P06280 2/20 0.34
HPGD P15428 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
APP P05067 1/20 0.33
MAPT P10636 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31488657 0.72 CA12 (0.49) CA12CA9HSD17B10ALDH1A1CYP2A6
SCHEMBL820429 0.72 CA12 (0.49) CA12CA9HSD17B10ALDH1A1CYP2A6
SCHEMBL7743584 0.70 CA12 (0.47) CA12CA9HSD17B10ALDH1A1CYP2A6
SCHEMBL20474773 0.66 CA12 (0.39) CA12CA9HSD17B10ALDH1A1CYP2A6
Phenanthrene SCHEMBL29477074 0.61 CYP2A6 (1.00) HSD17B10ALDH1A1CYP2A6TSHRTDP1
Phenanthrene SCHEMBL8873977 0.61 CYP2A6 (1.00) HSD17B10ALDH1A1CYP2A6TSHRTDP1
Phenanthrene SCHEMBL7643 0.61 CYP2A6 (1.00) HSD17B10ALDH1A1CYP2A6TSHRTDP1
Phenanthrene SCHEMBL30932938 0.61 CYP2A6 (1.00) HSD17B10ALDH1A1CYP2A6TSHRTDP1
Phenanthrene SCHEMBL29358486 0.61 CYP2A6 (1.00) HSD17B10ALDH1A1CYP2A6TSHRTDP1
Phenanthrene SCHEMBL1330750 0.61 CYP2A6 (1.00) HSD17B10ALDH1A1CYP2A6TSHRTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7537663-B2 Corrosion-inhibiting coating UNIVERSITY OF DAYTON (US) 2009-05-26 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
WO-2004009869-A2 CORROSION-INHIBITING COATING FOR METAL SURFACES UNIVERSITY OF DAYTON (US) 2004-01-29 WO disclosed
US-20040016363-A1 CORROSION-INHIBITING COATING VENTURE LENDING & LEASING, IV, INC. 2004-01-29 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed