SCHEMBL17873256

SCHEMBL17873256

COC(=O)c1ccc(NC(=O)OC(C)(C)C)c2c1COC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.44
KDM4E B2RXH2 7/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
HPGD P15428 3/20 0.34
GLA P06280 2/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGER4 P35408 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP17A1 P05093 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL28167978 0.81 GAA (0.39) GAARXFP1AAK1CYP17A1NFKB1
SCHEMBL31182208 0.81 AAK1 (0.40) GAASMN1; SMN2RXFP1AAK1CYP17A1
SCHEMBL25909307 0.81 GAA (0.39) GAARXFP1AAK1CYP17A1NFKB1
SCHEMBL17873258 0.81 AAK1 (0.40) GAASMN1; SMN2RXFP1AAK1CYP17A1
SCHEMBL29208185 0.79 ATR (0.42) ATRKDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL17798621 0.78 ATR (0.41) ATRKDM4EGAAALDH1A1TSHR
SCHEMBL17873261 0.76 RXFP1 (0.41) GAARXFP1
SCHEMBL27531537 0.74 ATR (0.47) ATRKDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL1082793 0.73 CA12 (0.54) ATRKDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL16257042 0.73 KDM4E (0.51) ATRKDM4EGAAALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663626-A1 IMINE COMPOUNDS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF Bio Genuine (Shanghai) Biotech Co., Ltd (CN) 2025-12-17 EP disclosed
WO-2024165071-A1 IMINE COMPOUNDS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 上海葆正医药科技有限公司 2024-08-15 WO disclosed
CN-107108596-B Oxazoline compounds substituted by fused ring systems 巴斯夫欧洲公司 2021-01-12 CN disclosed
EP-3237410-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2017-11-01 EP disclosed
WO-2016102482-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2016-06-30 WO disclosed