SCHEMBL31069864

SCHEMBL31069864

CCCCCCCCCCCCCCCCCCOC[C@@H](CC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.38
TLR2 O60603 5/20 0.37
TACR1 P25103 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAOB P27338 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PLA2G4B P0C869 1/20 0.35
PLA2G10 O15496 2/20 0.35
PLA2G2A P14555 2/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G5 P39877 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL11298010 0.88 FFAR1 (0.41) FFAR1TACR1CNR1CNR2MRGPRX4
SCHEMBL30515139 0.88 PLA2G2A (0.43) FFAR1TLR2TACR1MRGPRX1CNR1
SCHEMBL30515123 0.84 FFAR1 (0.41) FFAR1TLR2CNR1CNR2MAOB
SCHEMBL11304595 0.82 PLA2G2A (0.46) FFAR1TLR2PLA2G4BPLA2G10PLA2G2A
SCHEMBL31069869 0.80 ALDH1A1 (0.34) FFAR1TLR2TACR1MAOBPLA2G10
SCHEMBL25336781 0.79 LPAR3 (0.56) FFAR1
SCHEMBL25336782 0.79 LPAR3 (0.56) FFAR1
SCHEMBL29193334 0.77 CTSG (0.32) MRGPRX4
SCHEMBL29193148 0.77 CTSG (0.32) MRGPRX4
SCHEMBL29193149 0.77 CTSG (0.32) MRGPRX4

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