SCHEMBL8937293

SCHEMBL8937293

COc1cccc(/C(=C/C(=O)O)c2ccccc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MTNR1A P48039 5/20 0.49
MTNR1B P49286 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MAOB P27338 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PARP1 P09874 1/20 0.47
TGM2 P21980 1/20 0.46
MAPT P10636 1/20 0.45
MCL1 Q07820 1/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL8937298 1.00 KMT2A (0.56) KMT2AMEN1MTNR1AMTNR1BNPC1
SCHEMBL8937295 1.00 KMT2A (0.56) KMT2AMEN1MTNR1AMTNR1BNPC1
SCHEMBL8937427 0.85 KMT2A (0.64) KMT2AMEN1NPC1RAB9ACES2
SCHEMBL8937417 0.85 KMT2A (0.64) KMT2AMEN1NPC1RAB9ACES2
SCHEMBL8937423 0.85 KMT2A (0.64) KMT2AMEN1NPC1RAB9ACES2
SCHEMBL9396296 0.84 CES2 (0.62) KMT2AMEN1MTNR1AMTNR1BNPC1
SCHEMBL8937425 0.82 NPC1 (0.56) KMT2AMEN1MTNR1AMTNR1BNPC1
SCHEMBL8937419 0.82 NPC1 (0.56) KMT2AMEN1MTNR1AMTNR1BNPC1
SCHEMBL8937430 0.82 NPC1 (0.56) KMT2AMEN1MTNR1AMTNR1BNPC1
SCHEMBL7218671 0.81 ALDH1A1 (0.53) NPC1RAB9ACES2CES1SMN1; SMN2

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