SCHEMBL31432883

SCHEMBL31432883

CC[C@@H](C(=O)N1Cc2ccc(-c3ccccc3C(=O)OC)cc2C1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ TSHR P16473 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ HSD17B3 P37058 2/20 0.48
▸ SLC6A3 Q01959 4/20 0.46
▸ SLC6A4 P31645 3/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ HCRTR2 O43614 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ SLK Q9H2G2 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
SCHEMBL31432781 1.00 ALDH1A1 (0.53) ALDH1A1TSHRKDM4EHSD17B10HSD17B3
SCHEMBL31432763 0.89 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EHSD17B10GAA
SCHEMBL31432714 0.89 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EHSD17B10GAA
SCHEMBL31542160 0.89 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EHSD17B10GAA
SCHEMBL31432952 0.88 HSD17B3 (0.51) ALDH1A1TSHRKDM4EHSD17B10HSD17B3
SCHEMBL31432782 0.87 HSD17B3 (0.50) HSD17B3SLC6A3SLC6A4SLC6A2ROCK2
SCHEMBL31432828 0.87 HSD17B3 (0.50) HSD17B3SLC6A3SLC6A4SLC6A2ROCK2
SCHEMBL31432861 0.82 HSD17B3 (0.48) ALDH1A1TSHRHSD17B3SLC6A3SLC6A4
SCHEMBL31432839 0.80 HSD17B3 (0.51) ALDH1A1HSD17B3SLC6A3SLC6A4SLC6A2
SCHEMBL31432712 0.78 NAMPT (0.43) HSD17B3LMNAL3MBTL1ABHD6

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
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
Send feedback