SCHEMBL18754283

SCHEMBL18754283

CCCCCc1ccc(CNc2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
THRA P10827 3/20 0.56
THRB P10828 3/20 0.56
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
SPHK1 Q9NYA1 8/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
PLK1 P53350 1/20 0.51
S1PR1 P21453 1/20 0.51

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
SCHEMBL5546226 0.91 POLB (0.66) POLBTHRATHRBHPGDSPHK1
SCHEMBL3027338 0.89 THRA (0.68) POLBTHRATHRBSPHK1CA12
SCHEMBL11297385 0.89 THRA (0.68) POLBTHRATHRBSPHK1CA12
SCHEMBL6746649 0.89 THRA (0.68) POLBTHRATHRBSPHK1CA12
SCHEMBL2748237 0.86 POLB (0.73) POLBTHRATHRBALDH1A1HPGD
SCHEMBL20799661 0.85 THRA (0.52) POLBTHRATHRBALDH1A1HPGD
SCHEMBL22299245 0.85 ENPP2 (0.60) THRATHRBHPGDCA1CA2
SCHEMBL22299138 0.85 ENPP2 (0.60) THRATHRBHPGDCA1CA2
SCHEMBL22299144 0.85 ENPP2 (0.60) THRATHRBHPGDCA1CA2
SCHEMBL10931913 0.84 SPHK1 (0.58) THRATHRBALDH1A1SPHK1PLK1

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-2651913-B1 INDENO-FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES TRANSITIONS OPTICAL INC (US) 2017-04-19 EP disclosed