SCHEMBL8937377

SCHEMBL8937377

COc1cc(/C(=C\C(=O)O)c2ccc(F)cc2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
TUBB4A P04350 9/20 0.48
TUBB P07437 9/20 0.48
TUBA3C P0DPH7 9/20 0.48
TUBA1B P68363 9/20 0.48
TUBA4A P68366 9/20 0.48
TUBB4B P68371 9/20 0.48
TUBB3 Q13509 9/20 0.48
TUBB2A Q13885 9/20 0.48
TUBB8 Q3ZCM7 9/20 0.48
TUBA3E Q6PEY2 9/20 0.48
TUBA1A Q71U36 9/20 0.48
TUBA1C Q9BQE3 9/20 0.48

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
SCHEMBL8937380 1.00 KRAS (0.56) KRASSMN1; SMN2ALDH1A1ATML3MBTL1
SCHEMBL8937472 1.00 KRAS (0.56) KRASSMN1; SMN2ALDH1A1ATML3MBTL1
SCHEMBL8937441 0.80 PKM (0.62) SMN1; SMN2ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL8937437 0.80 PKM (0.62) SMN1; SMN2ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL8937580 0.80 PKM (0.62) SMN1; SMN2ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL3165945 0.79 CES2 (0.52) ALDH1A1MAPTTNFRSF1A
SCHEMBL9367554 0.79 CA12 (0.62) SMN1; SMN2ALDH1A1KDM4EGAAMAPT
SCHEMBL8937622 0.78 PKM (0.64) SMN1; SMN2ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL28718474 0.77 ALDH1A1 (0.47) KRASSMN1; SMN2ALDH1A1ATML3MBTL1
SCHEMBL5962285 0.77 CA12 (0.65) SMN1; SMN2ALDH1A1KDM4EGAAMAPT

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 6 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
EP-0395446-B1 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists SANKYO CO (JP) 1995-03-01 EP 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
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 EP disclosed