SCHEMBL24108374

SCHEMBL24108374

C=CCC(NC(=O)OCc1ccccc1)[C@@H](C)F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.50
▸ TRPM8 Q7Z2W7 1/20 0.49
▸ CTSK P43235 7/20 0.48
▸ ELANE P08246 2/20 0.47
▸ CTRB1 P17538 2/20 0.47
▸ CTSS P25774 4/20 0.46
▸ CTSL P07711 3/20 0.46
▸ CTSB P07858 2/20 0.46
▸ PRTN3 P24158 1/20 0.45

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
SCHEMBL14317559 0.84 ATM (0.54) ATMCTSKELANECTRB1CTSS
SCHEMBL16473698 0.84 ATM (0.54) ATMCTSKELANECTRB1CTSS
SCHEMBL14247228 0.84 ATM (0.54) ATMCTSKELANECTRB1CTSS
SCHEMBL28677738 0.80 CTRB1 (0.52) ATMCTSKCTRB1CTSSCTSL
SCHEMBL10535416 0.79 KYNU (0.59) TRPM8CTSKCTSSCTSLCTSB
SCHEMBL22469435 0.79 ATM (0.52) ATMTRPM8CTSKELANECTRB1
SCHEMBL14405782 0.79 ALDH1A1 (0.57) ATMCTSKCTSSCTSLCTSB
SCHEMBL22469281 0.79 ATM (0.52) ATMTRPM8CTSKELANECTRB1
SCHEMBL14318309 0.79 SYK (0.59) ATMCTSKELANECTRB1CTSS
SCHEMBL2519860 0.79 KYNU (0.59) TRPM8CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021252859-A1 INHIBITORS OF APOL1 AND USE OF THE SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-12-16 — — WO disclosed
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