SCHEMBL8399431

SCHEMBL8399431

Cc1cc(C(=O)O)c(C)c2c1S(=O)(=O)CCC21SCCS1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL8137796 0.89
SCHEMBL8122960 0.88 CXCR2 (0.30) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL6725582 0.81 RXRA (0.34) HPGDHSD17B10
SCHEMBL8351478 0.77 ABCC1 (0.34)
SCHEMBL8346248 0.75 HPGD (0.33) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL8399488 0.75 MAPT (0.46) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL6723893 0.72 KDM4E (0.33) MAPTHPGDHSD17B10
SCHEMBL6721354 0.72 RXRA (0.33) HPGDHSD17B10
SCHEMBL8137795 0.71
SCHEMBL6725367 0.69 RXRA (0.35) MAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5885936-A BENZOTHIOPYRAN DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-23 US disclosed
EP-0860441-A1 Herbicidal derivatives of 1,4-dithiino(2,3c)benzothiopyran E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-26 EP disclosed