SCHEMBL10710132

SCHEMBL10710132

NCc1c(C(=O)O)c(=O)oc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 4/20 0.47
NQO1 P15559 2/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
CSNK2A2 P19784 1/20 0.47
PTGS1 P23219 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL28716052 0.86 BRAF (0.50) CA12CA9ALDH1A1KDM4ELMNA
SCHEMBL8083350 0.84 CA12 (0.53) CA12CA9ALDH1A1KDM4ELMNA
SCHEMBL13506406 0.84 CA12 (0.53) CA12CA9ALDH1A1KDM4ELMNA
SCHEMBL27212655 0.81 CA12 (0.46) CA12CA9ALDH1A1KDM4ELMNA
SCHEMBL2028247 0.80 ALDH1A1 (0.50) CA12CA9ALDH1A1KDM4ELMNA
SCHEMBL2522178 0.80 ALDH1A1 (0.50) CA12CA9ALDH1A1KDM4ELMNA
SCHEMBL7753264 0.80 CA12 (0.57) CA12CA9ALDH1A1KDM4ELMNA
SCHEMBL19285589 0.79 GAA (0.62) CA12CA9ALDH1A1KDM4ELMNA
Zinc Ion SCHEMBL29660558 0.78 ALDH1A1 (0.48) CA12CA9ALDH1A1KDM4ELMNA
SCHEMBL29901650 0.77 CA12 (0.73) CA12CA9ALDH1A1KDM4ELMNA

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-0121995-B1 PEPTIDES KOWA COMPANY, LTD. (JP) 1988-09-28 EP disclosed
US-4487718-A FOR HEMOSTATIC DISORDERS AND THROMBOSIS KOWA COMPANY, LTD. (JP) 1984-12-11 US disclosed
EP-0121995-A2 Peptides KOWA COMPANY, LTD. (JP) 1984-10-17 EP disclosed