SCHEMBL31604871

SCHEMBL31604871

CCOC(=O)c1c(C)oc2ccc(CN3CCCCC3)cc12

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.64
▸ TSHR P16473 3/20 0.63
▸ LMNA P02545 2/20 0.63
▸ KDM4E B2RXH2 8/20 0.62
▸ ALDH1A1 P00352 8/20 0.62
▸ HPGD P15428 1/20 0.62
▸ PTGS2 P35354 5/20 0.54
▸ TDP1 Q9NUW8 2/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ HIF1A Q16665 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL31604931 0.89 HSD17B10 (0.59) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL31604925 0.86 KMT2A (0.49) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL24470970 0.80 PTGS2 (0.63) TSHRLMNAKDM4EALDH1A1HPGD
SCHEMBL30569372 0.80 PTGS2 (0.63) TSHRLMNAKDM4EALDH1A1HPGD
SCHEMBL31604905 0.80 PTGS2 (0.54) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL29630290 0.79 PTGS2 (0.62) TSHRLMNAKDM4EALDH1A1PTGS2
SCHEMBL24470975 0.79 PTGS2 (0.62) TSHRLMNAKDM4EALDH1A1PTGS2
SCHEMBL2251526 0.79 KDM4E (0.54) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL31604935 0.78 PTGS2 (0.60) TSHRLMNAKDM4EALDH1A1HPGD
SCHEMBL31604966 0.78 PTGS2 (0.57) TSHRLMNAKDM4EALDH1A1HPGD

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
Send feedback