SCHEMBL29059015

SCHEMBL29059015

CC(C)(C)OC(=O)N1CCC2(CC1)CC(N1CCC(C(=O)O)CC1)C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.44
GPR119 Q8TDV5 7/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
EPHX2 P34913 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL17005041 0.93 HSD17B10 (0.44) HSD17B10HPGDRECQLGPR119PTPN2
SCHEMBL29059099 0.88 HPGD (0.44) HPGDRECQLGPR119PTPN2PTPN1
SCHEMBL26699680 0.87 GPR119 (0.43) HPGDRECQLGPR119EPHX2USP2
SCHEMBL20669397 0.85 HPGD (0.48) HPGDRECQLGPR119EPHX2USP2
SCHEMBL2340756 0.85 HPGD (0.47) HSD17B10HPGDRECQLGPR119EPHX2
SCHEMBL20669370 0.84 HPGD (0.50) HPGDRECQLGPR119EPHX2USP2
SCHEMBL15487760 0.84 HPGD (0.56) HSD17B10HPGDRECQLGPR119PTPN2
SCHEMBL484799 0.84 HSD17B10 (0.49) HSD17B10HPGDRECQLGPR119PTPN2
SCHEMBL24480361 0.82 GPR119 (0.43) HPGDGPR119EPHX2USP2SMN1; SMN2
SCHEMBL20669374 0.82 GPR119 (0.43) HPGDGPR119EPHX2USP2SMN1; SMN2

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-112010858-B BTK inhibitor, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2023-07-18 CN disclosed
CN-112010858-A BTK inhibitor, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2020-12-01 CN disclosed