SCHEMBL8937700

SCHEMBL8937700

COc1ccc(/C(=C/C(=O)N2CCN(C(=O)c3cc(OC)c(OC(C)=O)c(OC)c3)CC2)c2ccccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
KMT2A Q03164 4/20 0.45
GPR183 P32249 2/20 0.44
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 2/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42

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
SCHEMBL8937586 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP1A2ABL1BCR
SCHEMBL8937589 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP1A2ABL1BCR
SCHEMBL8937498 0.93 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2ABL1BCR
SCHEMBL8937637 0.93 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2ABL1BCR
SCHEMBL8937500 0.93 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2ABL1BCR
SCHEMBL8937674 0.89 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP1A2ABL1BCR
SCHEMBL8937478 0.89 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP1A2ABL1BCR
SCHEMBL8937669 0.89 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP1A2ABL1BCR
SCHEMBL8937496 0.85 ALDH1A1 (0.61) ALDH1A1L3MBTL1CYP1A2KMT2AGPR183
SCHEMBL8937494 0.85 ALDH1A1 (0.61) ALDH1A1L3MBTL1CYP1A2KMT2AGPR183

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