SCHEMBL30464602

SCHEMBL30464602

CCCCCCCCCCCCCCCCCCOC[C@H](CO)Nc1cccc(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
PLA2G2C Q5R387 3/20 0.37
TLR2 O60603 4/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL24340358 1.00 USP2 (0.39) USP2CTSLCTSBCTSKPLA2G2C
SCHEMBL29020863 1.00 USP2 (0.39) USP2CTSLCTSBCTSKPLA2G2C
SCHEMBL29020840 0.81 SMPD1 (0.46) PLA2G2CTLR2MAPT
SCHEMBL24340398 0.81 SMPD1 (0.46) PLA2G2CTLR2MAPT
SCHEMBL30464550 0.81 SMPD1 (0.46) PLA2G2CTLR2MAPT
SCHEMBL30825796 0.77 PLA2G4B (0.40) USP2TLR2
SCHEMBL24304936 0.77 PLA2G4B (0.40) USP2TLR2
SCHEMBL30825807 0.77 PLA2G4B (0.40) USP2TLR2
SCHEMBL29193321 0.77 PLA2G4B (0.40) USP2TLR2
SCHEMBL29193196 0.77 PLA2G4B (0.40) USP2TLR2

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-116322759-A Phospholipid compounds and uses thereof 吉利德科学公司 2023-06-23 CN disclosed