SCHEMBL30898786

SCHEMBL30898786

CC(C)(C)OC(=O)N1CCCCC1C1(C(=O)O)C=CC=CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
HSD11B1 P28845 2/20 0.38
NPC1 O15118 1/20 0.36
KDM1A O60341 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATM Q13315 2/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
UCHL1 P09936 1/20 0.34
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
SCHEMBL31470889 0.78 EPHX1 (0.35) NPC1GPR119
SCHEMBL25334904 0.75 HSD17B10 (0.44) HSD17B10HSD11B1NPC1KDM1ALMNA
SCHEMBL27990166 0.74 GHSR (0.36) NPC1KDM1AUCHL1GPR119
SCHEMBL25970274 0.72 HSD17B10 (0.46) HSD17B10HSD11B1NPC1KDM1ALMNA
SCHEMBL25983994 0.71 HSD17B10 (0.45) HSD17B10HSD11B1NPC1KDM1ALMNA
SCHEMBL692983 0.70 HSD17B10 (0.41) HSD17B10HSD11B1NPC1KDM1ALMNA
SCHEMBL1488763 0.70 HSD17B10 (0.41) HSD17B10HSD11B1NPC1KDM1ALMNA
SCHEMBL25970571 0.69 UCHL1 (0.47) HSD17B10HSD11B1NPC1KDM1ALMNA
SCHEMBL24693398 0.69 HSD11B1 (0.41) HSD17B10HSD11B1NPC1KDM1AHPGD
SCHEMBL20558459 0.69 HSD11B1 (0.41) HSD17B10HSD11B1NPC1KDM1AHPGD

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
CN-113072542-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-04-05 CN disclosed