SCHEMBL9876495

SCHEMBL9876495

CC1(C)Oc2ccc(C(=O)O)cc2C2OC21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
ABCC9 O60706 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 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
SCHEMBL7048877 0.88 KDM4E (0.41) KDM4E
SCHEMBL7048882 0.88 KDM4E (0.41) KDM4E
SCHEMBL7693611 0.88 KDM4E (0.41) KDM4E
SCHEMBL482265 0.87 ABCC9 (0.49) ALDH1A1ABCC9TDP1
SCHEMBL4715927 0.87 ABCC9 (0.49) ALDH1A1ABCC9TDP1
SCHEMBL482263 0.87 ABCC9 (0.49) ALDH1A1ABCC9TDP1
SCHEMBL11394655 0.85 ALOX5 (0.45) ABCC9ALOX5
SCHEMBL11394662 0.85 ALOX5 (0.45) ABCC9ALOX5
SCHEMBL9742155 0.85 KCNA5 (0.40) ALDH1A1ABCC9ALOX5GAA
SCHEMBL10956358 0.85 ALOX5 (0.45) ABCC9ALOX5

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-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US disclosed