SCHEMBL25866393

SCHEMBL25866393

CCC1CC(C(=O)O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CETP P11597 1/20 0.34
▸ SRC P12931 2/20 0.34
▸ PARP1 P09874 1/20 0.34

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
SCHEMBL1439647 0.85 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL1439128 0.85 HSD17B10 (0.50) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL26430589 0.85 HSD17B10 (0.50) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL1439790 0.85 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL29279251 0.85 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL24047701 0.85 HSD17B10 (0.50) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL1841553 0.85 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL29279227 0.85 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL26791478 0.85 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL1439585 0.85 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2

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-2023141225-A1 FUSED HETEROCYCLES AS 5-HT2A RECEPTOR AGONISTS ONSERO THERAPEUTICS INC. (US) 2023-07-27 — — WO disclosed
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