SCHEMBL8937252

SCHEMBL8937252

COc1ccc(C(=CC(=O)N2CCN(C(=S)c3cc(OC)c(OC)c(OC)c3)CC2)c2ccc(OC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.54
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53
TUBB6 Q9BUF5 1/20 0.53
TUBB2B Q9BVA1 1/20 0.53
TUBB1 Q9H4B7 1/20 0.53

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
SCHEMBL8937620 0.90 ALDH1A1 (0.79) ALDH1A1L3MBTL1POLBTUBB4ATUBB
SCHEMBL8937406 0.89 ALDH1A1 (0.57) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL8937244 0.86 ALDH1A1 (0.72) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL8937251 0.86 ALDH1A1 (0.72) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL8937249 0.86 ALDH1A1 (0.72) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL8937539 0.85 ALDH1A1 (0.73) ALDH1A1L3MBTL1POLBTUBB4ATUBB
SCHEMBL8937440 0.84 ALDH1A1 (0.69) ALDH1A1L3MBTL1POLBTUBB4ATUBB
SCHEMBL8937435 0.84 ALDH1A1 (0.69) ALDH1A1L3MBTL1POLBTUBB4ATUBB
SCHEMBL8937224 0.83 ALDH1A1 (0.67) ALDH1A1L3MBTL1POLBTUBB4ATUBB
SCHEMBL8937483 0.83 ALDH1A1 (0.67) ALDH1A1L3MBTL1MEN1KMT2APOLB

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 5 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