SCHEMBL7572866

SCHEMBL7572866

COc1ccc2cc(C(=O)O)ccc2c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
KDM4E B2RXH2 1/20 0.56
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
RARA P10276 3/20 0.52
RARB P10826 3/20 0.52
RARG P13631 3/20 0.52
TSHR P16473 2/20 0.51
TTR P02766 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL28017898 0.94 TPMT (0.56) TPMTCA12CA1CA2CA4
SCHEMBL10835777 0.88 TSHR (0.61) TPMTCA12CA1CA2CA4
SCHEMBL2910845 0.84 TPMT (0.54) TPMTCA12CA1CA2CA4
SCHEMBL1434455 0.84 ESR1 (0.56) TPMTCA12CA1CA2CA4
SCHEMBL28819978 0.83 KDM4E (0.51) TPMTCA12CA1CA2CA4
SCHEMBL1476933 0.83 KDM4E (0.54) TPMTCA12CA1CA2CA4
SCHEMBL5693936 0.83 CA12 (0.57) TPMTCA12CA1CA2CA4
SCHEMBL38656246 0.83 CA12 (0.57) TPMTCA12CA1CA2CA4
SCHEMBL8164689 0.83 CA12 (0.57) TPMTCA12CA1CA2CA4
SCHEMBL8741589 0.82 TPMT (0.53) TPMTCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809493-B1 A METHOD FOR THE TREATMENT OF HYPERPROLIFERATIVE EPITHELIAL SKIN DISEASES BY TOPICAL APPLICATION OF HYDROXYLATED AROMATIC PROTEIN CROSS-LINKING COMPOUNDS US HEALTH (US) 2002-09-11 EP disclosed
EP-0809493-A1 A METHOD FOR THE TREATMENT OF HYPERPROLIFERATIVE EPITHELIAL SKIN DISEASES BY TOPICAL APPLICATION OF HYDROXYLATED AROMATIC PROTEIN CROSS-LINKING COMPOUNDS THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-12-03 EP disclosed
US-5610185-A Method for the treatment of hyperproliferative epithelial skin diseases by topical application of hydroxylated aromatic protein cross-linking compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-11 US disclosed
WO-1996025159-A1 A METHOD FOR THE TREATMENT OF HYPERPROLIFERATIVE EPITHELIAL SKIN DISEASES BY TOPICAL APPLICATION OF HYDROXYLATED AROMATIC PROTEIN CROSS-LINKING COMPOUNDS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-08-22 WO disclosed