SCHEMBL31604931

SCHEMBL31604931

CCOC(=O)c1c(C)oc2ccc(CCN3CCCCC3)cc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.59
▸ ALDH1A1 P00352 7/20 0.58
▸ KDM4E B2RXH2 7/20 0.58
▸ HPGD P15428 1/20 0.58
▸ LMNA P02545 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ PTGS2 P35354 6/20 0.52
▸ TDP1 Q9NUW8 2/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ HIF1A Q16665 1/20 0.48

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
SCHEMBL31604871 0.89 HSD17B10 (0.64) HSD17B10ALDH1A1KDM4EHPGDLMNA
SCHEMBL31604928 0.86 SLC26A4 (0.47) HSD17B10ALDH1A1KDM4EHPGDLMNA
SCHEMBL31604829 0.79 PTGS2 (0.67) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL24470970 0.79 PTGS2 (0.63) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL30569372 0.79 PTGS2 (0.63) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL31604905 0.78 PTGS2 (0.54) HSD17B10ALDH1A1KDM4ELMNATSHR
SCHEMBL29630290 0.78 PTGS2 (0.62) ALDH1A1KDM4ELMNATSHRPTGS2
SCHEMBL24470975 0.78 PTGS2 (0.62) ALDH1A1KDM4ELMNATSHRPTGS2
SCHEMBL31604935 0.77 PTGS2 (0.60) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL31604966 0.76 PTGS2 (0.57) ALDH1A1KDM4EHPGDLMNATSHR

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-2025111414-A1 TRPM3-MODULATING BENZOFURAN DERIVATIVES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-05-30 — — WO disclosed
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