SCHEMBL6584600

SCHEMBL6584600

COC(=S)c1ccc(C)c(O)c1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.32
TRPA1 O75762 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8309467 0.81 GAA (0.35) ALDH1A1HSD17B10
SCHEMBL6582258 0.78 LMNA (0.33) ALDH1A1KDM4EHPGD
SCHEMBL30463491 0.74 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL29051213 0.74 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL27721374 0.73 ALDH1A1 (0.46) ALDH1A1CYP1A2TRPA1KDM4EHSD17B10
SCHEMBL8679253 0.72 ALDH1A1 (0.36) ALDH1A1KDM4E
SCHEMBL8701488 0.68 ALDH1A1 (0.45) ALDH1A1KDM4EHPGD
SCHEMBL29716616 0.68 ALDH1A1 (0.45) ALDH1A1KDM4EHPGD
SCHEMBL7049791 0.68 ALDH1A1 (0.42) ALDH1A1TRPA1KDM4EHPGDHSD17B10
SCHEMBL10433510 0.68 ALDH1A1 (0.39) ALDH1A1CYP1A2TRPA1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900795-B1 BENZENE DERIVATIVES SUBSTITUTED BY HETEROCYCLES AND HERBICIDES NIPPON SODA CO (JP) 2004-04-21 EP disclosed
CN-1076351-C Heterocyclic substituted benzene derivatives and herbicides NIPPON SODA CO (JP) 2001-12-19 CN disclosed
US-6100421-A METHYL 3-FORMYL-4-METHANESULFONYL-2-METHYLBENZOATE, USEFUL AS A STARTING MATERIAL FOR HERBICIDE MANUFACTURE NIPPON SODA CO., LTD. (JP) 2000-08-08 US disclosed
US-5939360-A HERBICIDES WITH HYDROXYPYRAZOLEISOOXAZOLE KETONES NIPPON SODA CO., LTD. (JP) 1999-08-17 US disclosed
CN-1216543-A Heterocyclic substituted benzene derivatives and herbicides NIPPON SODA CO (JP) 1999-05-12 CN disclosed
EP-0900795-A1 BENZENE DERIVATIVES SUBSTITUTED BY HETEROCYCLES AND HERBICIDES NIPPON SODA CO., LTD. (JP) 1999-03-10 EP disclosed
EP-0894792-A1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVES AND HERBICIDES NIPPON SODA CO., LTD. (JP) 1999-02-03 EP disclosed
US-5834404-A Substituted bicycloheptanedione derivative and herbicide NIPPON SODA CO., LTD. (JP) 1998-11-10 US disclosed
CN-1162953-A Substituted bicycloheptanedione derivatives and herbicides NIPPON SODA CO (JP) 1997-10-22 CN disclosed
EP-0791572-A1 SUBSTITUTED BICYCLOHEPTANEDIONE DERIVATIVE AND HERBICIDE NIPPON SODA CO., LTD. (JP) 1997-08-27 EP disclosed