SCHEMBL19436969

SCHEMBL19436969

COc1ccccc1C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
POLB P06746 1/20 0.52
AKR1C2 P52895 1/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47
PTGS2 P35354 2/20 0.46
CYP19A1 P11511 1/20 0.46
AR P10275 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
KRAS P01116 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
SCHEMBL19436968 1.00 MAPT (0.52) MAPTPOLBAKR1C2ALDH1A1LMNA
SCHEMBL6576793 0.85 AKR1C2 (0.56) POLBAKR1C2ALDH1A1KMT2AMEN1
SCHEMBL4333508 0.83 ALDH1A1 (0.51) MAPTAKR1C2ALDH1A1KMT2AMEN1
SCHEMBL4333500 0.83 ALDH1A1 (0.51) MAPTAKR1C2ALDH1A1KMT2AMEN1
SCHEMBL2008011 0.80 AR (0.64) MAPTPOLBALDH1A1LMNAKMT2A
SCHEMBL2008010 0.80 AR (0.64) MAPTPOLBALDH1A1LMNAKMT2A
SCHEMBL10693625 0.80 AR (0.64) MAPTPOLBALDH1A1LMNAKMT2A
SCHEMBL12486667 0.79 MAPT (0.62) MAPTPOLBALDH1A1LMNAKMT2A
SCHEMBL16740642 0.78 ABCG2 (0.76) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL14318105 0.78 ABCG2 (0.76) MAPTALDH1A1LMNARAB9ASMN1; SMN2

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-2017176930-A1 DIPHENYLACRYLIC ACID DERIVATIVES THAT PROMOTE BONE AND CARTILAGE GROWTH EMORY UNIVERSITY (US) 2017-10-12 WO claimed