SCHEMBL7422235

SCHEMBL7422235

O=c1c2cc[c]cc2ccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2A6 P11509 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PAX8 Q06710 1/20 0.42
AKR1B1 P15121 2/20 0.40
HPRT1 P00492 1/20 0.39
MAPK14 Q16539 2/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
DNMT1 P26358 1/20 0.36
CYP1A2 P05177 1/20 0.35
PARP1 P09874 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL25413 0.87 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL27528926 0.85 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL28018139 0.83 HPRT1 (0.61) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL534978 0.83 HPRT1 (0.61) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL844803 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL18221939 0.80 ALDH1A1 (0.64) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL268735 0.80 ALDH1A1 (0.65) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL29391827 0.80 ALDH1A1 (0.65) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL30186719 0.80 ALDH1A1 (0.65) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL2268337 0.78 CYP1A2 (0.41) CA1CA2ALDH1A1HSD17B10CYP2A6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479505-B1 TREATING AIRWAY DISORDER IN A PATIENT COMPRISING ADMINISTERING TO SAID PATIENT IN NEED THEREOF A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PHOSPHODIESTERASE IV INHIBITOR ALTANA PHARMA AG (DE) 2002-11-12 US disclosed
EP-1147088-A1 6-ARYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
WO-2000042019-A1 6-ARYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO disclosed
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 US disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 EP disclosed
US-4112114-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC SYNTEX (U.S.A.) INC. (US) 1978-09-05 US disclosed