SCHEMBL8937314

SCHEMBL8937314

COc1ccc(C(=CC(=O)O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1B1 Q16678 2/20 0.48
KDR P35968 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
P2RX1 P51575 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
BMP1 P13497 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41

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
SCHEMBL8937309 1.00 MAOB (0.48) MAOBCYP1A1CYP1B1KDRNR4A1
SCHEMBL8937311 1.00 MAOB (0.48) MAOBCYP1A1CYP1B1KDRNR4A1
SCHEMBL8937392 0.88 MAOB (0.56) MAOBCYP1A1CYP1B1KDRMAPT
SCHEMBL8937385 0.88 MAOB (0.56) MAOBCYP1A1CYP1B1KDRMAPT
SCHEMBL8937390 0.88 MAOB (0.56) MAOBCYP1A1CYP1B1KDRMAPT
SCHEMBL2019776 0.83 CA1 (0.61) MAOBCYP1B1MAPTKDM4ECA1
SCHEMBL8937231 0.81 CA1 (0.47) MAPTKDM4ECA1CA2PDE4A
SCHEMBL8937240 0.81 CA1 (0.47) MAPTKDM4ECA1CA2PDE4A
SCHEMBL8937237 0.81 CA1 (0.47) MAPTKDM4ECA1CA2PDE4A
SCHEMBL8937285 0.80 CA1 (0.49) MAOBMAPTKDM4ECA1CA2

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