SCHEMBL11207202

SCHEMBL11207202

CCC(C)c1cc(Sc2ccc(O)c(C(C)CC)c2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.56
TSHR P16473 1/20 0.52
ALDH1A1 P00352 5/20 0.49
ALOX15 P16050 4/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
USP2 O75604 2/20 0.49
PKM P14618 1/20 0.49
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
BCL2 P10415 4/20 0.38
MCL1 Q07820 4/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
ALOX12 P18054 4/20 0.33
HIF1A Q16665 3/20 0.33

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
SCHEMBL4322937 0.82 GABRA1 (0.46) TSHRALDH1A1GAAHPGDBCL2
SCHEMBL30583122 0.82 GABRA1 (0.46) TSHRALDH1A1GAAHPGDBCL2
SCHEMBL3129487 0.80 TSHR (0.45) RORCTSHRALDH1A1ALOX15GAA
SCHEMBL5377027 0.79 ALDH1A1 (0.43) RORCTSHRALDH1A1ALOX15GAA
SCHEMBL122882 0.78 RORC (0.61) RORCTSHRALDH1A1ALOX15GAA
SCHEMBL7762441 0.77 TSHR (0.60) RORCTSHRALDH1A1ALOX15GAA
SCHEMBL6939529 0.76 RORC (0.59) RORCTSHRALDH1A1ALOX15GAA
SCHEMBL28343867 0.76 RORC (0.59) RORCTSHRALDH1A1ALOX15GAA
SCHEMBL487428 0.76 GAA (0.67) RORCTSHRALDH1A1ALOX15GAA
SCHEMBL10893299 0.76 CA1 (0.47) RORCTSHRALDH1A1ALOX15GAA

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
JP-58191192-A None JP disclosed
JP-S58191192-A HEAT SENSITIVE RECORDING MATERIAL RICOH CO LTD 1983-11-08 JP disclosed