SCHEMBL31542161

SCHEMBL31542161

CCC(C)C(=O)N1Cc2ccc(-c3ccccc3C(=O)O)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 11/20 0.44
▸ DPP8 Q6V1X1 8/20 0.44
▸ DPP9 Q86TI2 8/20 0.44
▸ DPP4 P27487 3/20 0.44
▸ NAMPT P43490 3/20 0.44
▸ PTPN11 Q06124 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAP3K5 Q99683 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ AGTR2 P50052 1/20 0.40
▸ ACE P12821 1/20 0.40

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
SCHEMBL31432759 1.00 DPP7 (0.44) DPP7DPP8DPP9DPP4NAMPT
SCHEMBL31432718 1.00 DPP7 (0.44) DPP7DPP8DPP9DPP4NAMPT
SCHEMBL31432712 0.89 NAMPT (0.43) DPP7DPP8DPP9DPP4NAMPT
SCHEMBL31432782 0.88 HSD17B3 (0.50) DPP7DPP8DPP9DPP4NAMPT
SCHEMBL31432828 0.88 HSD17B3 (0.50) DPP7DPP8DPP9DPP4NAMPT
SCHEMBL31542160 0.87 ALDH1A1 (0.51) DPP7DPP8DPP9DPP4PTPN11
SCHEMBL31432763 0.87 ALDH1A1 (0.51) DPP7DPP8DPP9DPP4PTPN11
SCHEMBL31432714 0.87 ALDH1A1 (0.51) DPP7DPP8DPP9DPP4PTPN11
SCHEMBL31432805 0.80 LTB4R2 (0.50) NAMPTPTPN11AGTR1AGTR2
SCHEMBL31432853 0.80 POLB (0.46) MAP3K5

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-2025088073-A1 HETEROCYCLIC COMPOUNDS AS BLT2 AGONISTS AND THEIR MEDICAL USE Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2025-05-01 — — WO disclosed
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