SCHEMBL23047613

SCHEMBL23047613

COCCC1O[C@@H]2C(OCc3ccccc3)[C@@]2(OCc2ccccc2)[C@H]1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 6/20 0.38
▸ PDE4D Q08499 1/20 0.34
▸ SSTR1 P30872 1/20 0.32
▸ SSTR2 P30874 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ SSTR3 P32745 1/20 0.32
▸ SSTR5 P35346 1/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL19997427 0.70 BCHE (0.41) BCHEPDE4DOPRM1OPRL1ALDH1A1
SCHEMBL24158036 0.68 BCHE (0.44) BCHEOPRM1OPRL1
SCHEMBL19292430 0.67 CTSV (0.38) BCHEALDH1A1
SCHEMBL19650285 0.64 MAPT (0.38) BCHEALDH1A1
SCHEMBL19101726 0.63 CTSV (0.39) BCHE
SCHEMBL19962794 0.62 BCHE (0.38) BCHEALDH1A1
SCHEMBL24645793 0.60 PDE4D (0.49) BCHEPDE4DSSTR1SSTR2SSTR4
SCHEMBL4621113 0.60 TSHR (0.44) OPRM1OPRL1ALDH1A1
SCHEMBL335356 0.60 TSHR (0.44) OPRM1OPRL1ALDH1A1
SCHEMBL19644574 0.59 CTSL (0.36) BCHE

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
EP-3785717-A1 METHODS FOR TREATING CORONAVIRIDAE INFECTIONS Gilead Sciences, Inc. (US) 2021-03-03 — — EP disclosed
Send feedback