SCHEMBL4606750

SCHEMBL4606750

C=CC(=O)OC(F)(F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
AKT1 P31749 1/20 0.39
HTT P42858 2/20 0.39
PTPN1 P18031 1/20 0.38
MAOB P27338 2/20 0.37
TGM2 P21980 3/20 0.36
KCNN4 O15554 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP1A2 P05177 2/20 0.35
CES1 P23141 1/20 0.35
CYP2D6 P10635 1/20 0.34
MAPT P10636 2/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
S1PR1 P21453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX15 P16050 1/20 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
SCHEMBL7859075 0.82 HTT (0.46) THRBALDH1A1TSHRAKT1HTT
SCHEMBL7939162 0.82 LMNA (0.41) THRBALDH1A1TSHRAKT1HTT
SCHEMBL438661 0.81 THRB (0.43) THRBALDH1A1TSHRAKT1HTT
SCHEMBL22472203 0.81 THRB (0.43) THRBALDH1A1TSHRAKT1HTT
SCHEMBL20102170 0.81 CYP2C19 (0.41) THRBALDH1A1TSHRAKT1HTT
SCHEMBL7939165 0.80 THRB (0.37) THRBALDH1A1TSHRAKT1HTT
SCHEMBL3169549 0.79 CYP2C19 (0.46) THRBALDH1A1TSHRAKT1HTT
SCHEMBL27702244 0.79 THRB (0.42) THRBALDH1A1TSHRAKT1HTT
SCHEMBL1153650 0.79 THRB (0.46) THRBALDH1A1TSHRAKT1HTT
SCHEMBL16086568 0.79 THRB (0.42) THRBALDH1A1TSHRAKT1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129308-B2 POWER TRANSMISSION BELT GATES CORP (US) 2008-07-16 EP disclosed
EP-1129308-B1 POWER TRANSMISSION BELT GATES CORP (US) 2004-02-25 EP disclosed
EP-1129308-A1 POWER TRANSMISSION BELT The Gates Corporation (US) 2001-09-05 EP disclosed
WO-2000029762-A1 POWER TRANSMISSION BELT THE GATES CORPORATION (US) 2000-05-25 WO disclosed
US-5013796-A Units of unsaturated nitrile, fluorine-containing vinyl monomer, conjugated diene, hydrogenated conjugated diene NIPPON ZEON CO., LTD. (JP) 1991-05-07 US disclosed
US-5013797-A Conjugated diene-acrylic ester-acrylic nitrile terpolymer; hydrogenated NIPPON ZEON CO., LTD. (JP) 1991-05-07 US disclosed
US-4956417-A UNSATURATED ESTER, CONJUGATED DIENE, HYDROGENATED CONJUGATED DIENES COPOLYMERS HAVING HEAT RESISTANCE AND OZONE RESISTANCE NIPPON ZEON CO., LTD. (JP) 1990-09-11 US disclosed