SCHEMBL7984986

SCHEMBL7984986

COc1cccc(C(=O)O)c1NC(=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.55
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.50
CYP19A1 P11511 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RXFP1 Q9HBX9 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
SCHEMBL17494165 0.88 CA12 (0.52) KMT2ACYP19A1CA12CA1CA2
SCHEMBL4933834 0.88 CYP19A1 (0.47) LTB4RKMT2AHTTCYP19A1CA12
SCHEMBL31031193 0.81 HTT (0.54) LTB4RKMT2AHTTCA12CA1
SCHEMBL1031322 0.81 LTB4R (0.53) LTB4RKMT2AHTTCA12CA1
SCHEMBL8691067 0.80 LTB4R (0.52) LTB4RKMT2AHTTCA12CA1
SCHEMBL17627487 0.80 CTSD (0.53) LTB4RKMT2AHTTCA12CA1
SCHEMBL18415530 0.79 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7848892 0.78 POLB (0.60) KMT2AFABP4KDM4EHPGDHSD17B10
SCHEMBL28318953 0.77 HTT (0.50) LTB4RKMT2AHTTCA12CA1
SCHEMBL11541393 0.77 HTT (0.54) LTB4RKMT2AHTTCA12CA1

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
US-6225329-B1 USEFUL IN THE TREATMENT OF TYPE I DIABETES, TYPE II DIABETES, IMPAIRED GLUCOSE TOLERANCE, INSULIN AUTOIMMUNITY DISEASES WITH DYSFUNCTIONS OF THE COAGULATION SYSTEM, ALLERGIC DISEASES NOVO NORDISK A/S (DK) 2001-05-01 US disclosed
EP-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed