SCHEMBL8346248

SCHEMBL8346248

Cc1cc(C(=O)O)c(C)c2c1SCCC21SCCS1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOTUM Q6P988 1/20 0.31
GAA P10253 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
SCHEMBL6726207 0.83 RXRA (0.35) KDM4EMEN1KMT2ATDP1NOTUM
SCHEMBL8344681 0.78 RXRA (0.30) MAPT
SCHEMBL8399488 0.78 MAPT (0.46) HPGDHSD17B10MAPTTSHRTAAR1
SCHEMBL8889486 0.77 MAPT (0.31) HPGDHSD17B10MAPTTSHRTAAR1
SCHEMBL8351023 0.76 MAPT (0.36) HPGDHSD17B10MAPTTSHRTAAR1
SCHEMBL8399431 0.75 MAPT (0.31) HPGDHSD17B10MAPTTSHRTAAR1
SCHEMBL6721464 0.74 KDM4E (0.35) HPGDHSD17B10KDM4EMEN1KMT2A
SCHEMBL9036741 0.72 RARA (0.34) MEN1KMT2ANOTUM
SCHEMBL6721524 0.69 RXRA (0.35) HPGDMAPTTSHRKDM4EMEN1
SCHEMBL8122960 0.68 CXCR2 (0.30) HPGDHSD17B10MAPTTSHRTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952266-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-14 US disclosed
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