SCHEMBL4428346

SCHEMBL4428346

CC(C)c1ccc(Cc2ccc(C(=O)O)c(=O)[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.42
COPS5 Q92905 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
KDM4E B2RXH2 3/20 0.39
PNP P00491 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 2/20 0.37
KDM6B O15054 2/20 0.37
KDM4A O75164 2/20 0.37
KDM4D Q6B0I6 2/20 0.37
HIF1AN Q9NWT6 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
DAO P14920 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
SCHEMBL4432534 0.85 KDM4E (0.49) CAPN1KDM4EPNPTDP1NPC1
SCHEMBL4425949 0.84 NOTUM (0.42) CAPN1RXRARXRBKDM4ETDP1
SCHEMBL3920671 0.84 DAO (0.54) KDM4EKDM4AKDM5BLMNAKDM4C
SCHEMBL11836193 0.82 KDM4E (0.42) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL4428237 0.82 KDM4E (0.50) CAPN1KDM4EKDM6BKDM4AKDM4D
SCHEMBL3912930 0.82 KDM4E (0.53) CAPN1KDM4EKDM6BKDM4AKDM4D
SCHEMBL4430485 0.81 KDM4E (0.41) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL3917621 0.81 DAO (0.46) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL11835232 0.80 KDM4E (0.59) KDM4ETDP1NPC1RAB9APOLB
SCHEMBL4438825 0.80 BRS3 (0.42) KDM4ELMNAALDH1A1GAASMN1; SMN2

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