SCHEMBL8937542

SCHEMBL8937542

COc1ccc(C(=CC(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c2cccc(F)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP1A2 P05177 1/20 0.56
KMT2A Q03164 1/20 0.54
PKM P14618 1/20 0.49
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
POLB P06746 1/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL8937535 1.00 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2KMT2APKM
SCHEMBL8937559 0.92 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP1A2KMT2APKM
SCHEMBL8937505 0.92 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP1A2KMT2APKM
SCHEMBL8937509 0.92 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP1A2KMT2APKM
SCHEMBL8937225 0.91 ALDH1A1 (0.67) ALDH1A1L3MBTL1CYP1A2PKMPOLB
SCHEMBL8937354 0.91 ALDH1A1 (0.67) ALDH1A1L3MBTL1CYP1A2PKMPOLB
SCHEMBL8937224 0.91 ALDH1A1 (0.67) ALDH1A1L3MBTL1CYP1A2PKMPOLB
SCHEMBL8937620 0.90 ALDH1A1 (0.79) ALDH1A1L3MBTL1CYP1A2POLBLMNA
SCHEMBL8937460 0.88 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2KMT2APOLB
SCHEMBL8937553 0.88 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2KMT2APOLB

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 claimed
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-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