SCHEMBL5764063

SCHEMBL5764063

CCCCc1oc2ccccc2c1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.83
ACP1 P24666 2/20 0.45
EYA3 Q99504 1/20 0.44

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
SCHEMBL6730825 0.86 PTPN1 (0.93) PTPN1EYA3
SCHEMBL3864688 0.86 PTPN1 (0.71) PTPN1EYA3
SCHEMBL4264241 0.81 PTPN1 (0.70) PTPN1
SCHEMBL3863449 0.81 PTPN1 (0.59) PTPN1ACP1
SCHEMBL7855340 0.80 PTPN1 (0.82) PTPN1EYA3
SCHEMBL4461358 0.80 PTPN1 (0.64) PTPN1ACP1EYA3
SCHEMBL3864502 0.79 PTPN1 (0.61) PTPN1EYA3
SCHEMBL4474980 0.79 PTPN1 (0.63) PTPN1ACP1EYA3
SCHEMBL4270758 0.78 PTPN1 (0.59) PTPN1EYA3
SCHEMBL4270762 0.78 PTPN1 (0.59) PTPN1EYA3

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
EP-1620420-A2 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP disclosed
WO-2004099168-A2 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO disclosed