SCHEMBL9520762

SCHEMBL9520762

COc1cccc(C(=CC=O)c2cccc(OC)c2OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 1/20 0.46
NFE2L2 Q16236 2/20 0.45
POLB P06746 3/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SRC P12931 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.43
CNR2 P34972 1/20 0.43
TLR2 O60603 1/20 0.42
ERN1 O75460 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
SCHEMBL9520689 0.84 ABCG2 (0.49) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL6635025 0.77 NPC1 (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3762150 0.76 RAB9A (0.55) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3863254 0.75 KMT2A (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2
Formic Acid SCHEMBL28191601 0.75 NFE2L2 (0.55) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL24512410 0.75 RAB9A (0.51) KMT2ANPC1RAB9ATP53HPGD
SCHEMBL11752903 0.75 NFE2L2 (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7802798 0.74 KMT2A (0.43) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL152563 0.74 MAPT (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6964175 0.74 RAB9A (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed