SCHEMBL5768014

SCHEMBL5768014

O=C(O)C(CC(=O)C1(c2c(Cc3ccccc3)oc3ccccc23)C=CC(c2ccccc2)=CC1)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.40
PTPRF P10586 1/20 0.40
PTPRA P18433 1/20 0.40
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
MME P08473 6/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CPA1 P15085 2/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36

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
SCHEMBL4274375 0.92 ADAMTS4 (0.36) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4267609 0.86 PTPN1 (0.47) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4800199 0.82 PTPN1 (0.38) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4264218 0.80 MTNR1A (0.40) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4806726 0.79 PTPN1 (0.38) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL5187438 0.78 PTPN1 (0.39) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4264656 0.77 PPARA (0.35) PTPN1DUSP3MMECPA1
SCHEMBL5742279 0.77 MTNR1A (0.38) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4262211 0.74 PTPN1 (0.38) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4261640 0.72 PTPN1 (0.38) PTPN1PTPRFPTPRAPTPN7DUSP3

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