SCHEMBL4606754

SCHEMBL4606754

C=CC(=O)OC(F)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
GAA P10253 1/20 0.36
CNR2 P34972 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
CYP3A4 P08684 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GSTO1 P78417 1/20 0.33
AKT1 P31749 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR3A P46098 1/20 0.32

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
SCHEMBL528066 0.77 THRB (0.41) CES2CES1KMT2ATHRBCYP3A4
SCHEMBL27668701 0.77 MEN1 (0.49) CES2CES1GAACNR2MEN1
SCHEMBL7633829 0.75 MEN1 (0.39) CES2CES1GAACNR2MEN1
SCHEMBL948917 0.75 TSHR (0.30)
Hydrochloric Acid SCHEMBL3407685 0.72 GAA (0.42) CES2CES1GAACNR2MEN1
Methacrylic Acid SCHEMBL7183109 0.72 MEN1 (0.37) CES2CES1GAACNR2MEN1
SCHEMBL5140182 0.69 IDO1 (0.44) CES2CES1GAACNR2MEN1
SCHEMBL2933377 0.68 THRB (0.49) CES2CES1GAAKMT2ATHRB
SCHEMBL30596839 0.68 THRB (0.49) CES2CES1GAAKMT2ATHRB
SCHEMBL960203 0.68 THRB (0.42) CES2CES1KMT2ATHRBCYP3A4

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-5013797-A Conjugated diene-acrylic ester-acrylic nitrile terpolymer; hydrogenated NIPPON ZEON CO., LTD. (JP) 1991-05-07 US 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-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