SCHEMBL24158036

SCHEMBL24158036

F[C@H]1COC2C(OCc3ccccc3)[C@]21OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.44
▸ CTSL P07711 2/20 0.36
▸ CTSB P07858 2/20 0.36
▸ CTSK P43235 2/20 0.36
▸ CTSV O60911 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSC P53634 1/20 0.36
▸ CTSF Q9UBX1 1/20 0.36
▸ CYP2C19 P33261 1/20 0.34
▸ OPRM1 P35372 2/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL19292430 0.73 CTSV (0.38) BCHECTSLCTSBCTSKCTSV
SCHEMBL19997427 0.71 BCHE (0.41) BCHECYP2C19OPRM1OPRL1
SCHEMBL19101726 0.69 CTSV (0.39) BCHECTSLCTSBCTSKCTSV
SCHEMBL23047613 0.68 BCHE (0.38) BCHEOPRM1OPRL1
SCHEMBL19962794 0.68 BCHE (0.38) BCHECTSLCTSBCTSKCTSV
SCHEMBL19650285 0.68 MAPT (0.38) BCHECTSLCTSBCTSKCTSV
SCHEMBL6099668 0.67 TSHR (0.46) BCHECTSLCTSBCTSKCTSV
SCHEMBL14527725 0.66 TSHR (0.44) BCHECTSLCTSBCTSKCTSV
SCHEMBL19644574 0.65 CTSL (0.36) BCHECTSLCTSBCTSKCTSV
SCHEMBL989623 0.64 CTSL (0.50) CTSLCTSBCTSKCYP2C19OPRM1

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-B1 METHODS FOR TREATING CORONAVIRIDAE INFECTIONS GILEAD SCIENCES INC (US) 2022-01-05 — — EP disclosed
Send feedback