SCHEMBL31069862

SCHEMBL31069862

CCCCCCCCCCCCCCCCCCOCC(CO)OCc1ccccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
CNR2 P34972 4/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
LPAR1 Q92633 4/20 0.35
LPAR3 Q9UBY5 4/20 0.35
LPAR2 Q9HBW0 1/20 0.35
CNR1 P21554 3/20 0.35
PLA2G2A P14555 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL24305059 1.00 USP2 (0.40) USP2CNR2ALDH1A1HPGDLPAR1
SCHEMBL25335620 0.85 LPAR3 (0.58) LPAR1LPAR3LPAR2
SCHEMBL25335623 0.85 LPAR3 (0.58) LPAR1LPAR3LPAR2
SCHEMBL24304953 0.84 CNR2 (0.41) USP2CNR2ALDH1A1HPGDCNR1
SCHEMBL31069869 0.84 ALDH1A1 (0.34) ALDH1A1HPGDPLA2G2A
SCHEMBL31129694 0.82 PLA2G2A (0.42) ALDH1A1HPGDLPAR1LPAR3LPAR2
SCHEMBL24305074 0.82 CNR2 (0.39) USP2CNR2ALDH1A1HPGDLPAR1
SCHEMBL24304737 0.82 PLA2G2A (0.33) ALDH1A1HPGDLPAR1LPAR3LPAR2
SCHEMBL24305057 0.81 USP2 (0.42) USP2ALDH1A1HPGDLPAR1LPAR3
SCHEMBL29020843 0.81 USP2 (0.42) USP2ALDH1A1HPGDLPAR1LPAR3

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-118591377-A Antiviral prodrugs, intermediate and long acting formulations and methods 加利福尼亚大学董事会 2024-09-03 CN disclosed