SCHEMBL8926976

SCHEMBL8926976

COc1ccc2c(c1C)c(CC(=O)O)c(C)n2-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.44
PLA2G2A P14555 2/20 0.44
PLA2G1B P04054 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 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
SCHEMBL7963230 0.69 PLA2G2A (0.86) PLA2G2APLA2G1BPKMMEN1KMT2A
SCHEMBL6036137 0.68 HSD17B10 (0.68) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14478865 0.68 RAB9A (0.61) L3MBTL1NPC1RAB9APKMSMN1; SMN2
SCHEMBL503725 0.68 MAPT (0.48) L3MBTL1NPC1RAB9APKMSMN1; SMN2
SCHEMBL5645826 0.68 LMNA (0.80) PTGDR2PLA2G2ARAB9AMEN1KMT2A
SCHEMBL6034660 0.67 RXRA (0.56) L3MBTL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3386778 0.66 KDM4E (0.73) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL12255371 0.66 MEN1 (0.43) PTGDR2PLA2G2APLA2G1BSMN1; SMN2MEN1
SCHEMBL1097150 0.66 L3MBTL1 (0.61) L3MBTL1MAOB
SCHEMBL14404895 0.65 AKR1C3 (0.59) PTGDR2PLA2G2APLA2G1BRAB9APKM

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-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed