SCHEMBL9866645

SCHEMBL9866645

COc1ccc(C(=O)c2cccs2)c2oc(C(=O)O)c(C)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.50
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 2/20 0.43
LMNA P02545 1/20 0.43
SLC6A9 P48067 5/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ADORA1 P30542 1/20 0.38
PSMD14 O00487 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL9867629 0.88 ALDH1A1 (0.44) CYP2C9SLC6A9CTNNB1WNT3AKMT2A
SCHEMBL10439859 0.82 ALDH1A1 (0.40) EDNRAALOX15LMNASLC6A9KMT2A
SCHEMBL9867484 0.78 MAPT (0.47) CYP2C9ALOX15LMNASLC6A9CTNNB1
SCHEMBL9869017 0.76 ALOX5 (0.52) ALOX15LMNAKMT2AMAPTHPGD
SCHEMBL10439771 0.75 MAPT (0.47) CYP2C9ALOX15LMNASLC6A9CTNNB1
SCHEMBL11743754 0.72 EDNRA (0.58) EDNRAMAPTHPGDL3MBTL1ALDH1A1
SCHEMBL9867505 0.71 SMN1; SMN2 (0.50) EDNRAALOX15LMNAKMT2AMAPT
SCHEMBL30785082 0.71 L3MBTL1 (0.53) ALOX15LMNASLC6A9CTNNB1WNT3A
SCHEMBL11454337 0.70 CYP2C9 (0.67) CYP2C9ALOX15LMNACTNNB1WNT3A
SCHEMBL11435106 0.69 CYP2C9 (0.69) CYP2C9ALOX15LMNASLC6A9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006549-A Antiinflammatory agents MERCK & CO., INC. (US) 1991-04-09 US disclosed
EP-0399773-A1 Novel 7-aroyl-4-hydroxy-3-methyl benzolfurans as dual inhibitors of cyclooxygenase and 5-lipoxygenase MERCK & CO. INC. (US) 1990-11-28 EP disclosed