SCHEMBL4606745

SCHEMBL4606745

C=CC(=O)OCc1cccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
THRB P10828 2/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ALKBH1 Q13686 1/20 0.38
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
RIPK1 Q13546 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL528065 0.87 ALDH1A1 (0.50) THRBMMP1MMP2MMP9MMP12
SCHEMBL29433901 0.86 MEP1B (0.44) F13A1TGM2TGM1THRBMMP1
SCHEMBL21244263 0.84 ALDH1A1 (0.40) F13A1TGM2TGM1THRBMMP1
SCHEMBL38663524 0.81 ALDH1A1 (0.40) F13A1TGM2TGM1THRBALDH1A1
SCHEMBL29577996 0.81 THRB (0.53) THRBHCAR2ALDH1A1LMNASMN1; SMN2
SCHEMBL10451653 0.81 THRB (0.53) THRBHCAR2ALDH1A1LMNASMN1; SMN2
SCHEMBL27421526 0.80 THRB (0.45) F13A1TGM2TGM1THRBHCAR2
SCHEMBL3827328 0.78 ALDH1A1 (0.47) F13A1TGM2TGM1MMP1MMP2
SCHEMBL21517449 0.77 RIPK1 (0.43) THRBMMP1MMP2MMP9MMP12
SCHEMBL7633815 0.76 ALDH1A1 (0.42) F13A1TGM2TGM1MMP1MMP2

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