SCHEMBL6979090

SCHEMBL6979090

COCOc1c(C)c(C)cc(C)c1Br

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4046189 0.77 CA2 (0.43) PTPN1HPGDHSD17B10
SCHEMBL23888118 0.75 PTPN1 (0.32) PTPN1
SCHEMBL206233 0.74 ALDH1A1 (0.46) PTPN1HPGD
SCHEMBL6716155 0.74 KMT2A (0.42) PTPN1
SCHEMBL30994107 0.73 ALDH1A1 (0.33) PTPN1
SCHEMBL20090022 0.71 PTPN1 (0.46) PTPN1
SCHEMBL15287525 0.71 CA2 (0.33) PTPN1HPGD
SCHEMBL30573053 0.70 ADRA2A (0.33) PTPN1
SCHEMBL26601679 0.70 ADRA2A (0.33) PTPN1
SCHEMBL29493405 0.70 PTPN1 (0.36) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
US-6172085-B1 CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
EP-0923575-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed