SCHEMBL9080978

SCHEMBL9080978

CCc1c(C2CC2)c(C(=O)O)c2c(OCc3ccccc3)cccn12

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 19/20 0.57
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42

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
SCHEMBL7015420 0.81 PLA2G1B (0.85) PLA2G1B
SCHEMBL7005944 0.78 PLA2G1B (0.81) PLA2G1B
SCHEMBL8318865 0.78 PLA2G1B (0.48) PLA2G1BATP4AATP4B
SCHEMBL7007127 0.77 PLA2G1B (0.66) PLA2G1BATP4AATP4B
SCHEMBL8323100 0.77 PLA2G1B (0.83) PLA2G1B
SCHEMBL7012498 0.76 HTR1A (0.44) PLA2G1B
SCHEMBL7012614 0.74 PLA2G1B (0.48) PLA2G1B
SCHEMBL7017169 0.73 PLA2G1B (1.00) PLA2G1B
SCHEMBL7011352 0.72 FOLH1 (0.47) PLA2G1B
SCHEMBL7013003 0.72 PLA2G1B (0.81) PLA2G1B

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-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed