SCHEMBL4785017

SCHEMBL4785017

CCCCCOc1ccc(C(=O)O)cc1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.68
THRB P10828 2/20 0.68
PLA2G2D Q9UNK4 1/20 0.63
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
PTPN11 Q06124 2/20 0.56
S1PR1 P21453 3/20 0.56
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
PLA2G4B P0C869 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.50
PLA2G2A P14555 1/20 0.50

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
SCHEMBL1171751 0.99 THRA (0.70) THRATHRBPLA2G2DALDH1A1HPGD
SCHEMBL2466292 0.99 THRA (0.70) THRATHRBPLA2G2DALDH1A1HPGD
SCHEMBL27669784 0.97 THRA (0.65) THRATHRBPLA2G2DALDH1A1HPGD
SCHEMBL3171378 0.94 THRA (0.61) THRATHRBPLA2G2DALDH1A1HPGD
SCHEMBL2593666 0.93 THRA (0.59) THRATHRBPLA2G2DALDH1A1HPGD
SCHEMBL2957056 0.89 THRA (0.69) THRATHRBPLA2G2DALDH1A1HPGD
SCHEMBL27754609 0.88 THRA (0.74) THRATHRBPLA2G2DALDH1A1HPGD
SCHEMBL25789823 0.87 PLA2G2D (0.65) THRATHRBPLA2G2DALDH1A1HPGD
SCHEMBL2582879 0.87 THRA (0.54) THRATHRBPLA2G2DALDH1A1HPGD
SCHEMBL1402196 0.87 TSHR (0.60) THRATHRBPLA2G2DTSHRRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008091967-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-31 WO disclosed