SCHEMBL8621971

SCHEMBL8621971

CNC(=O)CNc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
MAPT P10636 6/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
CYP3A4 P08684 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CYP1A1 P04798 2/20 0.45
CA12 O43570 1/20 0.45
BRD4 O60885 1/20 0.45
NR1I2 O75469 1/20 0.45
MB P02144 1/20 0.45
CA3 P07451 1/20 0.45
RARG P13631 1/20 0.45
TSHR P16473 1/20 0.45
ALOX5AP P20292 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
NR1I3 Q14994 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL19513461 0.84 POLB (0.59) ALDH1A1MAPTKMT2AMEN1CA1
SCHEMBL19707555 0.82 MEN1 (0.52) ALDH1A1MAPTKMT2AMEN1CA1
SCHEMBL1174341 0.82 PKM (0.56) ALDH1A1MAPTKMT2AMEN1CA1
SCHEMBL6905877 0.81 MAPT (0.52) ALDH1A1MAPTKMT2AMEN1CYP3A4
SCHEMBL3660127 0.81 CA1 (0.44) ALDH1A1MAPTKMT2AMEN1CYP3A4
SCHEMBL13498679 0.81 HDAC2 (0.52) ALDH1A1MAPTKMT2AMEN1CA2
SCHEMBL21747434 0.80 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1CYP3A4
SCHEMBL19501377 0.79 CA12 (0.53) ALDH1A1MAPTKMT2AMEN1CA1
SCHEMBL6489513 0.79 MEN1 (0.51) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL28288835 0.79 MAPT (0.55) ALDH1A1MAPTKMT2AMEN1CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712838-B1 ACYLPHENYLGLYCINE DERIVATIVE AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY INCREASED COLLAGENASE ACTIVITY CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD (JP) 1998-11-04 EP disclosed
US-5795891-A RHEUMATOID ARTHRITIS, OSTEOPOROSIS, HYPERCALCEMIA KANEBO LTD. (JP) 1998-08-18 US disclosed
EP-0712838-A1 ACYLPHENYLGLYCINE DERIVATIVE AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY INCREASED COLLAGENASE ACTIVITY CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD. (JP) 1996-05-22 EP disclosed