SCHEMBL28201268

SCHEMBL28201268

CC1CCCC(O)(OCc2ccccc2)O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
NR5A2 O00482 1/20 0.37
OPRM1 P35372 3/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 2/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
POLB P06746 1/20 0.35
AKR1B1 P15121 1/20 0.35
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
DPP4 P27487 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
SCHEMBL28031307 0.91 TSHR (0.40) TSHROPRM1OPRD1OPRK1OPRL1
SCHEMBL21753776 0.80 LMNA (0.42) TSHRLMNA
SCHEMBL28200687 0.79 NR5A2 (0.36) TSHRNR5A2OPRM1OPRD1OPRK1
SCHEMBL28102974 0.76 LMNA (0.44) TSHRLMNA
SCHEMBL29015942 0.73 SMYD2 (0.36) NR5A2OPRM1OPRD1OPRK1OPRL1
SCHEMBL8601625 0.70 OPRM1 (0.39) TSHRNR5A2OPRM1OPRD1OPRK1
SCHEMBL2502222 0.70 NR5A2 (0.37) TSHRNR5A2OPRM1OPRD1OPRK1
SCHEMBL21504377 0.69 SCN1A (0.40) TSHRNR5A2OPRM1OPRL1SCN1A
SCHEMBL15465575 0.69 CTSV (0.36) NR5A2OPRM1OPRD1OPRK1OPRL1
SCHEMBL15465574 0.69 CTSV (0.36) NR5A2OPRM1OPRD1OPRK1OPRL1

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-107709332-A A kind of C, O loop coil aryl glycoside class compound and its preparation and application 中国科学院上海药物研究所 2018-02-16 CN disclosed