SCHEMBL8937577

SCHEMBL8937577

COc1ccc(/C(=C/C(=O)O)c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MAOB P27338 3/20 0.48
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
TGM2 P21980 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HPGD P15428 2/20 0.45
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HSPD1 P10809 1/20 0.42
TNFRSF1A P19438 1/20 0.42
HSPE1 P61604 1/20 0.42
CYP1B1 Q16678 1/20 0.42
TCF4 P15884 1/20 0.42

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
SCHEMBL8937578 1.00 KMT2A (0.50) KMT2AMAOBCES2CES1TGM2
SCHEMBL8937477 0.85 KMT2A (0.54) KMT2AMAOBCES2CES1TGM2
SCHEMBL8937474 0.85 KMT2A (0.54) KMT2AMAOBCES2CES1TGM2
SCHEMBL8937476 0.85 KMT2A (0.54) KMT2AMAOBCES2CES1TGM2
SCHEMBL8937423 0.84 KMT2A (0.64) KMT2AMAOBCES2CES1CA1
SCHEMBL8937427 0.84 KMT2A (0.64) KMT2AMAOBCES2CES1CA1
SCHEMBL8937417 0.84 KMT2A (0.64) KMT2AMAOBCES2CES1CA1
SCHEMBL2019776 0.82 CA1 (0.61) KMT2AMAOBCES2CES1CA1
SCHEMBL4394754 0.81 CES2 (0.65) KMT2AMAOBCES2CES1CA1
SCHEMBL4390225 0.81 CES2 (0.65) KMT2AMAOBCES2CES1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 US disclosed
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 US disclosed