SCHEMBL9717141

SCHEMBL9717141

CCOC(=O)c1ccc(/C=C/c2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.66
CA2 P00918 4/20 0.66
CA12 O43570 3/20 0.66
CA7 P43166 3/20 0.66
CA9 Q16790 3/20 0.66
CA14 Q9ULX7 3/20 0.66
ESR1 P03372 1/20 0.66
ESR2 Q92731 1/20 0.66
CYP1A2 P05177 2/20 0.63
LMNA P02545 1/20 0.63
CYP3A4 P08684 1/20 0.63
MAOA P21397 1/20 0.63
PPARG P37231 1/20 0.56
HPGD P15428 5/20 0.56
HTT P42858 2/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 2/20 0.53
RECQL P46063 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CACNA1B Q00975 1/20 0.53

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
SCHEMBL9717146 1.00 CA1 (0.66) CA1CA2CA12CA7CA9
SCHEMBL10618582 1.00 CA1 (0.66) CA1CA2CA12CA7CA9
SCHEMBL9953407 0.93 PPARG (0.66) CA1CA2CA12CA7CA9
SCHEMBL10764296 0.93 PTPN1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL10702295 0.93 CA12 (0.58) CA1CA2CA12CA7CA9
SCHEMBL10702293 0.93 CA12 (0.58) CA1CA2CA12CA7CA9
SCHEMBL8160762 0.93 PPARG (0.66) CA1CA2CA12CA7CA9
SCHEMBL10764294 0.93 PTPN1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL11695905 0.93 CA12 (0.58) CA1CA2CA12CA7CA9
SCHEMBL16687962 0.91 CA12 (0.56) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280652-B1 PROCESS FOR INCREASING THE DEGREE OF WHITENESS OF TEXTILE MATERIAL CONTAINING A POLYESTER CIBA-GEIGY AG (CH) 1992-09-16 EP claimed
EP-0280652-B1 PROCESS FOR INCREASING THE DEGREE OF WHITENESS OF TEXTILE MATERIAL CONTAINING A POLYESTER CIBA-GEIGY AG (CH) 1992-09-16 EP disclosed
US-4830763-A Process for increasing the degree of whiteness of polyester-containing textile material CIBA-GEIGY CORPORATION (US) 1989-05-16 US disclosed
US-4526822-A Oxygen impermeability EASTMAN KODAK COMPANY (US) 1985-07-02 US disclosed
US-4248998-A COMPOUNDS USED AS PLASTICIZERS FOR POLYVINYL CHLORIDE; POLYMERS USED AS FIBERS, FILMS, MOLDED ARTICLES STANDARD OIL COMPANY (INDIANA) (US) 1981-02-03 US disclosed
US-3953498-A Diesters and diacids of phenanthrene GULF RESEARCH & DEVELOPMENT COMPANY (US) 1976-04-27 US disclosed