SCHEMBL8356097

SCHEMBL8356097

CCCCCCCCC=CCCCCCCCCOC(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.56
CNR1 P21554 6/20 0.56
ALDH1A1 P00352 1/20 0.56
PLA2G2A P14555 2/20 0.48
PLA2G10 O15496 1/20 0.48
PLA2G1B P04054 1/20 0.48
PLA2G5 P39877 1/20 0.48
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKCA P17252 1/20 0.39

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
SCHEMBL8353837 0.93 PLA2G2A (0.53) CNR2CNR1ALDH1A1PLA2G2APLA2G10
SCHEMBL8195323 0.93 PLA2G2A (0.53) CNR2CNR1ALDH1A1PLA2G2APLA2G10
SCHEMBL8350184 0.93 PLA2G2A (0.53) CNR2CNR1ALDH1A1PLA2G2APLA2G10
SCHEMBL8356181 0.93 PLA2G2A (0.53) CNR2CNR1ALDH1A1PLA2G2APLA2G10
SCHEMBL8004701 0.89 PLA2G2A (0.51) CNR2CNR1ALDH1A1PLA2G2APLA2G10
SCHEMBL8004697 0.89 PLA2G2A (0.51) CNR2CNR1ALDH1A1PLA2G2APLA2G10
SCHEMBL18609340 0.88 PLA2G2A (0.49) CNR2CNR1ALDH1A1PLA2G2APLA2G10
SCHEMBL8357825 0.85 PLA2G2A (0.59) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL1895262 0.84 CNR1 (0.46) CNR2CNR1ALDH1A1PLA2G2APLA2G10
SCHEMBL26305101 0.84 PLA2G2A (0.39) CNR2CNR1ALDH1A1PLA2G2APLA2G10

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
US-5972982-A CONTAINING 5-TO 9-MEMBERED HETEROARYL MONO- OR BICYCLIC RING SYSTEM HAVING NO MORE THAN 1 CARBONYL CARBON IN THE RING SYSTEM; VIRICIDES, BACTERICIDES CLARION PHARMACEUTICALS INC. (US) 1999-10-26 US disclosed