SCHEMBL883204

SCHEMBL883204

CC(C)(C)OC(=O)N1CCC2(CC2)[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
NR1H2 P55055 3/20 0.36
RXRA P19793 2/20 0.36
NR1H3 Q13133 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL15776522 1.00 HSD17B10 (0.42) HSD17B10SMN1; SMN2USP2NR1H2RXRA
SCHEMBL17654997 1.00 HSD17B10 (0.42) HSD17B10SMN1; SMN2USP2NR1H2RXRA
SCHEMBL17031882 0.89 USP2 (0.38) HSD17B10SMN1; SMN2USP2NR1H2RXRA
SCHEMBL17036678 0.88 HSD17B10 (0.37) HSD17B10SMN1; SMN2USP2NR1H2RXRA
SCHEMBL17654999 0.86 USP2 (0.36) HSD17B10SMN1; SMN2USP2CHRM2CHRM1
SCHEMBL15776514 0.86 USP2 (0.36) HSD17B10SMN1; SMN2USP2CHRM2CHRM1
SCHEMBL35211488 0.85 HSD17B10 (0.40) HSD17B10SMN1; SMN2USP2NR1H2CHRM2
SCHEMBL16369976 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2USP2NR1H2RXRA
SCHEMBL905280 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2USP2NR1H2RXRA
SCHEMBL905275 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2USP2NR1H2RXRA

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
CN-114044800-A Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders 艾其林医药公司 2022-02-15 CN disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 WO disclosed