SCHEMBL8937558

SCHEMBL8937558

CCOc1ccc(/C(=C\C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c2cc(C)cc(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL8937359 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAMAPTCYP1A2
SCHEMBL8937364 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAMAPTCYP1A2
SCHEMBL8937466 0.95 ALDH1A1 (0.55) ALDH1A1L3MBTL1LMNAMAPTCYP1A2
SCHEMBL8937608 0.95 ALDH1A1 (0.55) ALDH1A1L3MBTL1LMNAMAPTCYP1A2
SCHEMBL8937461 0.95 ALDH1A1 (0.55) ALDH1A1L3MBTL1LMNAMAPTCYP1A2
SCHEMBL8937600 0.92 ALDH1A1 (0.62) ALDH1A1L3MBTL1LMNACYP1A2GAA
SCHEMBL8937657 0.92 ALDH1A1 (0.62) ALDH1A1L3MBTL1LMNACYP1A2GAA
SCHEMBL8937594 0.92 ALDH1A1 (0.62) ALDH1A1L3MBTL1LMNACYP1A2GAA
SCHEMBL8937483 0.86 ALDH1A1 (0.67) ALDH1A1L3MBTL1LMNACYP1A2GAA
SCHEMBL8937481 0.86 ALDH1A1 (0.67) ALDH1A1L3MBTL1LMNACYP1A2GAA

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 3 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