SCHEMBL8849960

SCHEMBL8849960

COc1ccc2c(-c3c(CC(=O)O)ccc4ccccc34)cccc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ AKR1C2 P52895 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MTNR1A P48039 8/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MTNR1B P49286 4/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NQO2 P16083 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP12 P39900 1/20 0.43

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
SCHEMBL31429834 0.80 MTNR1A (0.61) PTGS1AKR1C3AKR1C2TDP1MTNR1A
SCHEMBL7925457 0.80 MTNR1A (0.61) PTGS1AKR1C3AKR1C2TDP1MTNR1A
SCHEMBL30692247 0.77 MTNR1A (0.64) TDP1MTNR1AMTNR1BNQO2
SCHEMBL3914252 0.77 MTNR1A (0.64) TDP1MTNR1AMTNR1BNQO2
SCHEMBL1041432 0.77 CYP1A2 (0.55) HDAC8MTNR1AMTNR1B
SCHEMBL453836 0.76 AKR1C2 (0.59) PTGS1AKR1C3AKR1C2MTNR1AMTNR1B
SCHEMBL11466749 0.76 PTGS1 (0.59) PTGS1AKR1C3AKR1C2MTNR1AMTNR1B
SCHEMBL4749622 0.76 MTNR1A (0.63) TDP1MTNR1AMTNR1BNQO2
SCHEMBL13612562 0.76 PTGS1 (0.52) PTGS1AKR1C3AKR1C2MTNR1AL3MBTL1
SCHEMBL28003639 0.75 TDP1 (0.67) TDP1HSD17B10KDM4E

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
EP-0780358-A1 A process for the resolution of 6-methoxy-alpha-methyl-2-naphthaleneacetic racemic acid into its enantiomers FARCHEMIA S.r.l. (IT) 1997-06-25 — — EP claimed
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