SCHEMBL6587430

SCHEMBL6587430

Cc1cc(-c2c(S(C)(=O)=O)ccc(C(=O)O)c2C)on1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
HCAR2 Q8TDS4 1/20 0.40
KMT2A Q03164 4/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 3/20 0.36
TP53 P04637 3/20 0.36
CSF1R P07333 4/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ACLY P53396 1/20 0.33

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
SCHEMBL6587396 0.88 KDM4E (0.40) ALDH1A1KDM4EUSP2TSHRKMT2A
SCHEMBL8135897 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2TSHRHCAR2
SCHEMBL6585945 0.86 KMT2A (0.43) ALDH1A1KDM4EUSP2TSHRKMT2A
SCHEMBL5704533 0.84 LMNA (0.48) ALDH1A1KDM4EUSP2TSHRKMT2A
SCHEMBL8137249 0.80 KDM4E (0.39) ALDH1A1KDM4EUSP2TSHRKMT2A
SCHEMBL7971081 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EUSP2TSHRHCAR2
SCHEMBL2298799 0.79 KDM4E (0.33) ALDH1A1KDM4EUSP2TSHRKMT2A
SCHEMBL8135182 0.77 MEN1 (0.41) ALDH1A1KDM4EUSP2TSHRKMT2A
SCHEMBL8135835 0.77 PIK3CD (0.35) ALDH1A1KDM4EUSP2TSHRKMT2A
SCHEMBL28545718 0.75 EDNRA (0.33) ALDH1A1KMT2AMAPK1MEN1LMNA

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-0900795-B1 BENZENE DERIVATIVES SUBSTITUTED BY HETEROCYCLES AND HERBICIDES NIPPON SODA CO (JP) 2004-04-21 EP 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