SCHEMBL11706331

SCHEMBL11706331

O=C(Cc1ccccc1)NCCc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.72
ESRRB O95718 1/20 0.63
ESRRG P62508 1/20 0.63
HPGD P15428 3/20 0.62
GAA P10253 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA5A P35218 1/20 0.62
CA7 P43166 1/20 0.62
CA5B Q9Y2D0 1/20 0.62
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
HSD17B2 P37059 1/20 0.60
CDK5 Q00535 1/20 0.60
CDK5R1 Q15078 1/20 0.60
ADAMTS5 Q9UNA0 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PLAAT3 P53816 1/20 0.56

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
SCHEMBL4152627 0.95 TRPV1 (0.78) TRPV1ESRRBESRRGHPGDGAA
SCHEMBL4152553 0.95 TRPV1 (0.78) TRPV1ESRRBESRRGHPGDGAA
SCHEMBL4161209 0.89 ESRRB (0.77) TRPV1ESRRBESRRGHPGDGAA
SCHEMBL4153733 0.87 HPGD (0.79) TRPV1HPGDGAACA1CA2
SCHEMBL13960177 0.84 ALDH1A1 (0.84) TRPV1GAACA1CA2CA5A
SCHEMBL13960176 0.84 ALDH1A1 (0.84) TRPV1GAACA1CA2CA5A
SCHEMBL4151976 0.83 GAA (0.74) TRPV1HPGDGAAMEN1KMT2A
SCHEMBL4151866 0.83 GAA (0.74) TRPV1HPGDGAAMEN1KMT2A
SCHEMBL22664772 0.81 CA1 (0.69) TRPV1HPGDGAACA1CA2
SCHEMBL8803541 0.81 LTA4H (0.79) TRPV1HPGDGAACA1CA2

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
US-4010279-A BIPHENYLOXY DERIVATIVES AND ANTIHYPERLIPIDEMIC USE BOEHRINGER INGELHEIM GMBH (DT) 1977-03-01 US disclosed