SCHEMBL8430762

SCHEMBL8430762

O=c1c(Cl)c(Cl)sn1CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.58
GSK3B P49841 3/20 0.53
KAT2B Q92831 2/20 0.49
PRKCA P17252 1/20 0.46
GSK3A P49840 1/20 0.43
MGLL Q99685 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41

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
SCHEMBL1876020 0.84 CASP3 (0.57) CASP3GSK3BKAT2BPRKCAGSK3A
SCHEMBL5593615 0.80 KAT2B (0.46) CASP3KAT2B
SCHEMBL9565238 0.74 KAT2B (0.63) KAT2BMGLLKDM4EALDH1A1
SCHEMBL2109583 0.73 KAT2B (0.56) CASP3GSK3BKAT2BPRKCAGSK3A
SCHEMBL9320527 0.73 CASP3 (0.50) CASP3GSK3BPRKCAGSK3AMGLL
SCHEMBL6550955 0.73 CASP3 (1.00) CASP3KAT2B
SCHEMBL21814499 0.72 KAT2B (0.53) KAT2BKDM4EALDH1A1
SCHEMBL5593705 0.71 HDAC3 (0.46) CASP3KAT2BMGLLALDH1A1
SCHEMBL9236723 0.71 KAT2B (0.59) KAT2B
SCHEMBL8440049 0.71 KAT2B (0.70) GSK3BKAT2BGSK3AMGLLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5912286-A Silicone-containing fluoropolymers for controlled release of organic leachants THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1999-06-15 US claimed
EP-0762955-A4 ANTIFOULING AND FOUL-RELEASE COATINGS US HEALTH (US) 1998-01-07 EP claimed
EP-0762955-A1 ANTIFOULING AND FOUL-RELEASE COATINGS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE NAVY (US) 1997-03-19 EP claimed
WO-1995032862-A1 ANTIFOULING AND FOUL-RELEASE COATINGS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1995-12-07 WO claimed
US-4127687-A PAINTING WITH ISOTHIAZOLONES ROHM AND HAAS COMPANY (US) 1978-11-28 US claimed
US-5912286-A Silicone-containing fluoropolymers for controlled release of organic leachants THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1999-06-15 US disclosed
EP-0762955-A4 ANTIFOULING AND FOUL-RELEASE COATINGS US HEALTH (US) 1998-01-07 EP disclosed
EP-0762955-A1 ANTIFOULING AND FOUL-RELEASE COATINGS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE NAVY (US) 1997-03-19 EP disclosed
WO-1995032862-A1 ANTIFOULING AND FOUL-RELEASE COATINGS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1995-12-07 WO disclosed
EP-0147970-B1 MICROBIOCIDAL OR ANTIMICROBIAL BIOMEDICAL DEVICES ROHM AND HAAS COMPANY (US) 1989-03-01 EP disclosed
US-4542169-A Biomedical devices containing isothiazolones to control bacteria growth ROHM AND HAAS COMPANY (US) 1985-09-17 US disclosed
EP-0147970-A1 Microbiocidal or antimicrobial biomedical devices ROHM AND HAAS COMPANY (US) 1985-07-10 EP disclosed
EP-0031705-B1 SUBSTITUTED 3-ISOTHIAZOLONES, SALTS AND METAL SALT COMPLEXES THEREOF, COMPOSITIONS CONTAINING THEM AND THEIR USE FOR COMBATING BACTERIA, ALGAE AND FUNGI ROHM AND HAAS COMPANY (US) 1984-03-21 EP disclosed
US-4310590-A BACTERICIDES, FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-01-12 US disclosed