SCHEMBL10693529

SCHEMBL10693529

CCCCCCCCCCCCOc1ccc(C(=O)OC)cc1F

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.64
THRB P10828 2/20 0.64
SMPD1 P17405 6/20 0.55
MGLL Q99685 3/20 0.52
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
LPAR2 Q9HBW0 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
PLA2G2D Q9UNK4 1/20 0.49
PTPN11 Q06124 1/20 0.49

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
SCHEMBL10692700 1.00 THRA (0.64) THRATHRBSMPD1MGLLS1PR2
SCHEMBL17230968 1.00 THRA (0.64) THRATHRBSMPD1MGLLS1PR2
SCHEMBL14926443 1.00 THRA (0.64) THRATHRBSMPD1MGLLS1PR2
SCHEMBL14926440 0.99 THRA (0.62) THRATHRBSMPD1MGLLS1PR2
SCHEMBL15295180 0.90 PDE4D (0.53) THRATHRBMGLLHPGD
SCHEMBL9641090 0.90 PTPN11 (0.57) THRATHRBSMPD1MGLLS1PR2
SCHEMBL9437150 0.87 THRA (0.68) THRATHRBALDH1A1HPGDPLA2G2D
SCHEMBL15731804 0.87 THRA (0.68) THRATHRBALDH1A1HPGDPLA2G2D
SCHEMBL9440043 0.87 THRA (0.68) THRATHRBALDH1A1HPGDPLA2G2D
SCHEMBL9440284 0.87 THRA (0.68) THRATHRBALDH1A1HPGDPLA2G2D

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
EP-0256303-A2 Liquid crystal compounds having fluorine-containing core POLAROID CORPORATION (US) 1988-02-24 EP disclosed