SCHEMBL22793544

SCHEMBL22793544

COC(=O)/C=C/[C@@H](CCOCc1ccccc1)[C@H](O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.43
MAPT P10636 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSB P07858 2/20 0.39
FOLH1 Q04609 1/20 0.39
CYP2C19 P33261 1/20 0.37
MME P08473 1/20 0.37

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
SCHEMBL22793375 0.89 HCAR2 (0.41) CTSLMAPTHTTSMN1; SMN2CTSB
SCHEMBL22793374 0.82 MAOB (0.39) HTTSMN1; SMN2CTSBFOLH1CYP2C19
SCHEMBL22793531 0.82 HTT (0.37) MAPTHTTSMN1; SMN2CTSBFOLH1
SCHEMBL122159 0.76 CTSL (0.46) CTSLMAPTHTTFOLH1MME
SCHEMBL147688 0.76 CTSL (0.46) CTSLMAPTHTTFOLH1MME
SCHEMBL3941734 0.74 CTSL (0.43) CTSLMAPTHTTCYP2C19MME
SCHEMBL3941740 0.74 CTSL (0.43) CTSLMAPTHTTCYP2C19MME
SCHEMBL3941742 0.74 CTSL (0.43) CTSLMAPTHTTCYP2C19MME
SCHEMBL2351295 0.72 CTSL (0.47) CTSLMAPTCYP2C19
SCHEMBL20014093 0.72 MAPT (0.47) MAPTHTTSMN1; SMN2CTSB

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
WO-2020251953-A1 STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-17 WO disclosed