SCHEMBL176221

SCHEMBL176221

CCS(=O)(=O)c1ccc(C(C)(C)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.52
RORC P51449 12/20 0.52
PSIP1 O75475 2/20 0.50
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
HSD11B1 P28845 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL168480 0.81 RORC (0.57) ELANERORC
SCHEMBL16880003 0.80 RORC (0.70) ELANERORCGAAHSD11B1LMNA
SCHEMBL3497043 0.79 MAPT (0.52) ALDH1A1
SCHEMBL18300622 0.79 ALDH1A1 (0.45) ELANERORCALDH1A1HSD11B1
SCHEMBL21962301 0.79 CA2 (0.52)
SCHEMBL15579071 0.79 ELANE (0.45) ELANERORCNPC1ALDH1A1RECQL
SCHEMBL15579062 0.78 HRH3 (0.45) ELANERORCNPC1ALDH1A1RECQL
SCHEMBL9906397 0.78 ALDH1A1 (0.59) RORCPSIP1GAANPC1ALDH1A1
SCHEMBL15578026 0.76 PTGS2 (0.46) ELANE
SCHEMBL15578082 0.75 ELANE (0.44) ELANENPC1ALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed