SCHEMBL28595487

SCHEMBL28595487

Fc1cc(OCC2CCO2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.51
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
ATF4 P18848 3/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 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
SCHEMBL21819606 0.88 ALDH1A1 (0.57) DRD4ALDH1A1TP53CYP3A4TSHR
SCHEMBL21882038 0.88 ALDH1A1 (0.57) DRD4ALDH1A1TP53CYP3A4TSHR
SCHEMBL21050147 0.88 ALDH1A1 (0.57) DRD4ALDH1A1TP53CYP3A4TSHR
SCHEMBL2834264 0.82 SMN1; SMN2 (0.42) DRD4ALDH1A1TP53CYP3A4TSHR
SCHEMBL19874193 0.81 PARP10 (0.51) ATF4
SCHEMBL29051180 0.77 PARP10 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29051172 0.77 PARP10 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29051173 0.77 PARP10 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28619760 0.77 NPC1 (0.58) DRD4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22040914 0.77 RAB9A (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AGRM5

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-112912082-A Integrated stress pathway inhibitors 普拉西斯生物技术有限责任公司 2021-06-04 CN disclosed