SCHEMBL4428822

SCHEMBL4428822

CCOC(=O)c1ccc(Cc2ccc3c(c2)C(C)(C)CCC3(C)C)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
CYP26A1 O43174 1/20 0.46
CYP26B1 Q9NR63 1/20 0.46
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RARA P10276 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40

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
SCHEMBL4431033 0.85 RXRA (0.59) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL4431889 0.79 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTLMNAPDE3B
SCHEMBL4429488 0.76 PDE3B (0.47) ALDH1A1L3MBTL1MAPTLMNAPDE3B
SCHEMBL4429517 0.76 TSHR (0.46) ALDH1A1L3MBTL1MAPTLMNAPDE3B
SCHEMBL10004025 0.73 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPTLMNAGAA
SCHEMBL4987734 0.72 MAPT (0.44) RXRARXRBRXRGALDH1A1RARA
SCHEMBL3819796 0.71 RARB (0.60) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL10458353 0.71 TSHR (0.53) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL8674523 0.70 RARA (0.56) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL21776893 0.70 PPARG (0.59) RXRARXRBRXRGCYP26A1CYP26B1

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