SCHEMBL8359733

SCHEMBL8359733

CCCCCCC(=C(C#N)C(=O)O)c1ccc(OC)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
SMPD1 P17405 3/20 0.46
POLB P06746 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
PLA2G4B P0C869 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL20588336 0.86 HTT (0.49) POLBHPGDALDH1A1
SCHEMBL26087253 0.86 TAS1R3 (0.44) THRATHRBHPGDHDAC3HDAC2
SCHEMBL9214719 0.84 PTGS2 (0.46) HDAC3HDAC2PLA2G4B
SCHEMBL3824921 0.83 EPHX2 (0.51) EPHX2SMPD1PLA2G4BALDH1A1
SCHEMBL246300 0.83 PTGS2 (0.46) HDAC3HDAC2ALDH1A1CA1CA2
SCHEMBL9588048 0.76 THRA (0.66) EPHX2SMPD1THRATHRB
Stearic Acid SCHEMBL11246448 0.76 CA12 (0.66) EPHX2SMPD1POLBTHRATHRB
SCHEMBL28217401 0.75 HPGD (0.69) POLBHPGDALDH1A1CA12CA1
SCHEMBL9375696 0.75 CTNNB1 (0.65) SMPD1THRATHRBHDAC3HDAC2
SCHEMBL2138853 0.74 TAS1R3 (0.45) HPGDALDH1A1

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-1999036049-A1 PHOTOSTABLE UV ABSORBENT CONTAINING α-CYANO CINNAMYL MOIETY ISP INVESTMENTS INC. (US) 1999-07-22 WO disclosed