SCHEMBL4425949

SCHEMBL4425949

CC(C)c1cccc(Cc2ccc(C(=O)O)c(=O)[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
CAPN1 P07384 1/20 0.41
KDM5B Q9UGL1 7/20 0.40
KDM4A O75164 5/20 0.40
KDM6B O15054 4/20 0.40
KDM4D Q6B0I6 4/20 0.40
HIF1AN Q9NWT6 4/20 0.40
KDM2A Q9Y2K7 4/20 0.40
KDM3B Q7LBC6 3/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
DAO P14920 1/20 0.37
MDM4 O15151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL4429488 0.84 PDE3B (0.47) KDM4EALDH1A1CA1CA2MAPT
SCHEMBL4428346 0.84 CAPN1 (0.42) CAPN1KDM5BKDM4AKDM6BKDM4D
SCHEMBL4432424 0.82 HNF4A (0.49) KDM5BKDM4AKDM6BKDM4DHIF1AN
SCHEMBL3912930 0.80 KDM4E (0.53) CAPN1KDM5BKDM4AKDM6BKDM4D
SCHEMBL4430684 0.80 RXRA (0.41) NOTUMRXRARXRBRXRGKDM4E
SCHEMBL4431491 0.80 HCAR2 (0.54) KDM5BKDM4AKDM6BKDM4DHIF1AN
SCHEMBL4430692 0.80 KDM4E (0.51) KDM5BKDM4AKDM6BKDM4DHIF1AN
SCHEMBL4380912 0.80 HCAR2 (0.54) KDM5BKDM4AKDM4EKDM4CDAO
SCHEMBL4438623 0.80 HCAR2 (0.54) KDM4EDAOBRS3
SCHEMBL4438787 0.80 KDM4E (0.41) KDM5BKDM4AKDM6BKDM4DHIF1AN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed