SCHEMBL8619378

SCHEMBL8619378

CON=C(C(=O)O)c1ccccc1COc1ccc(C)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.54
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
HIF1A Q16665 6/20 0.48
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL8619377 1.00 MRGPRX4 (0.54) MRGPRX4TP53HTTHIF1ANPC1
SCHEMBL8618288 0.93 TP53 (0.49) MRGPRX4TP53HTTHIF1ANPC1
SCHEMBL8618293 0.93 TP53 (0.49) MRGPRX4TP53HTTHIF1ANPC1
SCHEMBL8617210 0.91 MRGPRX4 (0.51) MRGPRX4TP53HTTHIF1A
SCHEMBL8617209 0.91 MRGPRX4 (0.51) MRGPRX4TP53HTTHIF1A
SCHEMBL8645173 0.90 MRGPRX4 (0.68) MRGPRX4TP53HTTHIF1A
SCHEMBL8645171 0.90 MRGPRX4 (0.68) MRGPRX4TP53HTTHIF1A
SCHEMBL8369647 0.89 HIF1A (0.50) HTTHIF1ANPC1KDM4E
SCHEMBL8589674 0.89 HIF1A (0.50) MRGPRX4HIF1AKDM4E
SCHEMBL7543562 0.89 HIF1A (0.50) HTTHIF1ANPC1KDM4E

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
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed