SCHEMBL8399488

SCHEMBL8399488

Cc1cc(C(=O)O)c(C)c2c1CCCC21SCCS1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RXRA P19793 3/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 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
SCHEMBL8346248 0.78 HPGD (0.33) MAPTHPGDHSD17B10TSHRTAAR1
SCHEMBL8554515 0.77 MAPT (0.41) MAPTHPGDHSD17B10TSHRTAAR1
SCHEMBL8399431 0.75 MAPT (0.31) MAPTHPGDHSD17B10TSHRTAAR1
SCHEMBL8122960 0.68 CXCR2 (0.30) MAPTHPGDHSD17B10TSHRTAAR1
SCHEMBL8137796 0.66
SCHEMBL6726207 0.66 RXRA (0.35) KDM4EMEN1KMT2ATDP1RXRA
SCHEMBL8344681 0.62 RXRA (0.30) MAPTRXRARXRBRXRG
SCHEMBL6721464 0.62 KDM4E (0.35) HPGDHSD17B10ALDH1A1GAALMNA
SCHEMBL16540927 0.60 KDM4E (0.45) MAPTHPGDHSD17B10ALDH1A1KDM4E
SCHEMBL625521 0.60 KDM4E (0.48) HPGDHSD17B10ALDH1A1GAALMNA

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