SCHEMBL27601543

SCHEMBL27601543

OCCCC1CCCc2c1ccc1c2ccc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
AHR P35869 1/20 0.38
PTGIR P43119 2/20 0.38
HPRT1 P00492 1/20 0.37
HTR1A P08908 1/20 0.36

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
Pyrrole SCHEMBL28191377 0.94 SIGMAR1 (0.38) SIGMAR1HTR1A
Phthalimide SCHEMBL27583971 0.89 CDK4 (0.39) SIGMAR1ALDH1A1MAPTPTGIR
SCHEMBL27450656 0.88 SIGMAR1 (0.39) SIGMAR1HTR1A
SCHEMBL28168592 0.87 DRD4 (0.39) SIGMAR1HTR1A
SCHEMBL28191378 0.87 DRD4 (0.39) SIGMAR1HTR1A
SCHEMBL28854117 0.87 SIGMAR1 (0.32) SIGMAR1PTGIRHTR1A
Benzene SCHEMBL28236625 0.86 SIGMAR1 (0.40) SIGMAR1PTGIRHTR1A
SCHEMBL27690928 0.85 ALDH1A1 (0.39) SIGMAR1ALDH1A1CYP1A2LCKFYN
SCHEMBL28160694 0.85 HPRT1 (0.38) SIGMAR1ALDH1A1CYP1A2LCKFYN
SCHEMBL28223991 0.85 CYP1A2 (0.40) SIGMAR1ALDH1A1CYP1A2LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118286155-B Ultra-nanometer wrapping system and preparation method thereof 江门职业技术学院 2025-01-28 CN disclosed
CN-113912578-B Preparation method of hydroxypropyl tetrahydropyran triol 成都格纯生物医药有限公司 2024-01-16 CN disclosed
CN-100430400-C Cyclic-aliphatic epoxy compound containing pheneylethylene cinnamyl or maleimide functional group NAT STARCH CHEM INVEST (US) 2008-11-05 CN disclosed
CN-1488631-A Cyclic-aliphatic epoxy compound containing pheneylethylene cinnamyl or maleimide functional group ���ҵ�ۼ���ѧͶ�ʿعɹ�˾ 2004-04-14 CN disclosed