SCHEMBL4431033

SCHEMBL4431033

CC1(C)CCC(C)(C)c2cc(Cc3ccc(C(=O)O)c(=O)[nH]3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.59
RXRB P28702 7/20 0.59
RXRG P48443 6/20 0.59
CYP26A1 O43174 2/20 0.53
CYP26B1 Q9NR63 2/20 0.53
RARA P10276 6/20 0.46
RARB P10826 6/20 0.46
RARG P13631 6/20 0.46
PPARG P37231 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
SCHEMBL4428822 0.85 RXRA (0.47) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL4428237 0.77 KDM4E (0.50)
SCHEMBL3912930 0.76 KDM4E (0.53)
SCHEMBL4432424 0.76 HNF4A (0.49)
SCHEMBL10459825 0.75 RXRA (0.63) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL11835232 0.75 KDM4E (0.59)
SCHEMBL4431596 0.75 KDM4E (0.45)
SCHEMBL4372824 0.75 KDM5A (0.55) RXRARXRBRXRG
SCHEMBL11836193 0.74 KDM4E (0.42)
SCHEMBL4380912 0.74 HCAR2 (0.54)

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