SCHEMBL8897799

SCHEMBL8897799

Cc1cc(C(=O)O)c(C)c2c1S(=O)(=O)C(C)C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.36
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOTUM Q6P988 2/20 0.30
GPR35 Q9HC97 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6772501 0.72 KDM4E (0.35) ABCC1KDM4EMEN1KMT2ATDP1
SCHEMBL16346452 0.70 ERN1 (0.34) MEN1KMT2A
SCHEMBL8118574 0.70 ALDH1A1 (0.35) KDM4ETDP1GAANOTUMMAPT
Hydrochloric Acid SCHEMBL8118586 0.69 ALDH1A1 (0.34) KDM4ETDP1GAAMAPT
SCHEMBL6750989 0.68 ABCC1 (0.33) ABCC1
SCHEMBL8894900 0.68 KDM4E (0.45) KDM4EMEN1KMT2ATDP1GAA
SCHEMBL6725280 0.68 SPR (0.33) ABCC1KDM4EMEN1KMT2ATDP1
SCHEMBL16346430 0.67 CYP2C19 (0.34) KDM4EHPGDHSD17B10NOTUM
SCHEMBL6747244 0.65 ABCC1 (0.31) ABCC1
SCHEMBL7974618 0.65 ABCC1 (0.32) ABCC1KDM4EMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997008164-A1 BICYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-06 WO disclosed