SCHEMBL8554515

SCHEMBL8554515

Cc1cc(Br)c(C)c2c1CCCC21SCCS1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.36
PKM P14618 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.34

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
SCHEMBL8889632 0.75
SCHEMBL21845576 0.68 PDE7A (0.33) ALDH1A1PKMGAA
SCHEMBL21845476 0.66 TSHR (0.32) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL6733149 0.61
SCHEMBL26607001 0.61
SCHEMBL30888670 0.60 MAPT (0.34) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL6721324 0.59
SCHEMBL30643117 0.59 BACE1 (0.44) HPGDLMNA
SCHEMBL14053247 0.58 BACE1 (0.38)
SCHEMBL30100082 0.58

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