SCHEMBL31432952

SCHEMBL31432952

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 2/20 0.51
▸ SLC6A3 Q01959 4/20 0.49
▸ SLC6A4 P31645 3/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ NAMPT P43490 2/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ SLK Q9H2G2 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ DPP8 Q6V1X1 8/20 0.40
▸ DPP9 Q86TI2 8/20 0.40
▸ DPP7 Q9UHL4 8/20 0.40
▸ DPP4 P27487 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL31432828 0.90 HSD17B3 (0.50) HSD17B3SLC6A3SLC6A4SLC6A2NAMPT
SCHEMBL31432782 0.90 HSD17B3 (0.50) HSD17B3SLC6A3SLC6A4SLC6A2NAMPT
SCHEMBL31432883 0.88 ALDH1A1 (0.53) HSD17B3SLC6A3SLC6A4SLC6A2ROCK2
SCHEMBL31432781 0.88 ALDH1A1 (0.53) HSD17B3SLC6A3SLC6A4SLC6A2ROCK2
SCHEMBL31432712 0.87 NAMPT (0.43) HSD17B3NAMPTDPP8DPP9DPP7
SCHEMBL31432839 0.82 HSD17B3 (0.51) HSD17B3SLC6A3SLC6A4SLC6A2NAMPT
SCHEMBL31432861 0.79 HSD17B3 (0.48) HSD17B3SLC6A3SLC6A4SLC6A2ROCK2
SCHEMBL31432718 0.77 DPP7 (0.44) NAMPTDPP8DPP9DPP7DPP4
SCHEMBL31542161 0.77 DPP7 (0.44) NAMPTDPP8DPP9DPP7DPP4
SCHEMBL31432759 0.77 DPP7 (0.44) NAMPTDPP8DPP9DPP7DPP4

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
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
EP-4545138-A1 HETEROCYCLIC COMPOUNDS AS BLT2 AGONISTS AND THEIR MEDICAL USE Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2025-04-30 — — EP disclosed
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