SCHEMBL7455698

SCHEMBL7455698

CCC(O)c1ccc(CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
PGR P06401 2/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 1/20 0.39
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 4/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL1607138 0.85 LMNA (0.75) LMNAPGRESR1ESR2TSHR
SCHEMBL3917903 0.84 LMNA (0.60) LMNAPGRESR1ESR2TSHR
SCHEMBL3917902 0.84 LMNA (0.60) LMNAPGRESR1ESR2TSHR
SCHEMBL3913946 0.83 ESR1 (0.43) LMNAESR1ESR2TSHRTDP1
SCHEMBL8746277 0.81 TSHR (0.42) LMNATSHRTDP1CYP2C9CYP3A4
SCHEMBL9754371 0.81 S1PR2 (0.44) LMNAESR1ESR2CHRM2SLC6A2
SCHEMBL6612632 0.80 LMNA (0.56) LMNAPGRESR1ESR2TSHR
SCHEMBL547630 0.80 LMNA (0.56) LMNAPGRESR1ESR2CYP3A4
SCHEMBL9498329 0.80 LMNA (0.56) LMNAPGRESR1ESR2ADRB2
SCHEMBL5988792 0.80 LMNA (0.56) LMNAPGRESR1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
EP-1030665-A4 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARM PROD INC (US) 2002-11-27 EP disclosed
EP-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999020275-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-04-29 WO disclosed
US-4064086-A SPIROLACTONES NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-12-20 US disclosed