SCHEMBL9719283

SCHEMBL9719283

CC(=O)c1cc2cc(C)ccc2cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.61
CYP1A2 P05177 2/20 0.50
TDP1 Q9NUW8 1/20 0.43
HSD11B1 P28845 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
NPC1 O15118 2/20 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
SCHEMBL16355668 0.83 CYP2A6 (0.55) CYP2A6CYP1A2TDP1HSD11B1KMT2A
SCHEMBL14781353 0.82 KDM4E (0.50) CYP1A2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL16513113 0.80 TDP1 (0.48) CYP2A6CYP1A2TDP1ALDH1A1NPC1
SCHEMBL31395459 0.78 CYP2A6 (0.88) CYP2A6CYP1A2TDP1KMT2AMEN1
SCHEMBL3370424 0.78 CYP2A6 (0.88) CYP2A6CYP1A2TDP1KMT2AMEN1
SCHEMBL697905 0.77 KMT2A (0.55) CYP2A6KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL29381894 0.77 KMT2A (0.51) CYP2A6TDP1HSD11B1KMT2AMEN1
SCHEMBL96218 0.77 KMT2A (0.51) CYP2A6TDP1HSD11B1KMT2AMEN1
SCHEMBL29636568 0.77 KMT2A (0.55) CYP2A6KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL606287 0.76 CYP1A2 (0.77) CYP2A6CYP1A2TDP1ALDH1A1CA12

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
US-8206893-B2 Photoimageable branched polymer BREWER SCIENCE INC. (US) 2012-06-26 US disclosed
US-20090111057-A1 PHOTOIMAGEABLE BRANCHED POLYMER BREWER SCIENCE INC. 2009-04-30 US disclosed
US-5138098-A Catalytic actlation using complexing agent AMOCO CORPORATION (US) 1992-08-11 US disclosed
US-4879284-A SKIN DISORDERS L'OREAL (FR) 1989-11-07 US disclosed