SCHEMBL8618293

SCHEMBL8618293

CON=C(C(=O)O)c1ccccc1COc1cc(C)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
HIF1A Q16665 8/20 0.48
MRGPRX4 Q96LA9 3/20 0.48
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.43
HDAC8 Q9BY41 1/20 0.41
CLCN2 P51788 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
SCHEMBL8618288 1.00 TP53 (0.49) TP53HTTHIF1AMRGPRX4KDM4E
SCHEMBL8619377 0.93 MRGPRX4 (0.54) TP53HTTHIF1AMRGPRX4KDM4E
SCHEMBL8619378 0.93 MRGPRX4 (0.54) TP53HTTHIF1AMRGPRX4KDM4E
SCHEMBL8620582 0.91 HIF1A (0.48) TP53HTTHIF1AMRGPRX4KDM4E
SCHEMBL8620579 0.91 HIF1A (0.48) TP53HTTHIF1AMRGPRX4KDM4E
SCHEMBL7543562 0.89 HIF1A (0.50) HTTHIF1AKDM4EMAPTNPC1
SCHEMBL8369646 0.89 HIF1A (0.50) HTTHIF1AKDM4EMAPTNPC1
SCHEMBL8369647 0.89 HIF1A (0.50) HTTHIF1AKDM4EMAPTNPC1
SCHEMBL8624069 0.88 HIF1A (0.48) TP53HTTHIF1AMRGPRX4KDM4E
SCHEMBL8624068 0.88 HIF1A (0.48) TP53HTTHIF1AMRGPRX4KDM4E

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