SCHEMBL30565604

SCHEMBL30565604

CC(C)(C)OC(=O)n1nccc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
GPR119 Q8TDV5 11/20 0.40
USP30 Q70CQ3 1/20 0.40
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL29918474 0.76 GPR119 (0.50) GPR119KDM4EMAPTTHRBPTPN2
SCHEMBL693588 0.76 FAAH (0.41) ELANEGPR119USP30USP2
SCHEMBL20528595 0.74 ELANE (0.34) ELANEGPR119USP30
SCHEMBL20449149 0.74 ELANE (0.34) ELANEGPR119USP30
SCHEMBL20449148 0.74 ELANE (0.34) ELANEGPR119USP30
SCHEMBL22951279 0.74 FAAH (0.40) ELANEGPR119USP30USP2
SCHEMBL22501848 0.74 ELANE (0.44) ELANEGPR119USP30USP2
SCHEMBL1864917 0.74 FAAH (0.40) ELANEGPR119USP30USP2
SCHEMBL2489522 0.74 ELANE (0.39) ELANEGPR119KDM4EMAPTTHRB
SCHEMBL27153822 0.73 KRAS (0.47) GPR119

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-117843642-A Difunctional compound and application thereof 麦科萨药业(苏州)有限公司 2024-04-09 CN disclosed
CN-116685326-A Co-crystals of CDK inhibitors 奥瑞珍肿瘤有限公司 2023-09-01 CN disclosed