SCHEMBL1409972

SCHEMBL1409972

CC(C)(O)C(=O)c1ccccc1.CC(C)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.49
HIF1A Q16665 1/20 0.49
USP5 P45974 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
SRC P12931 1/20 0.43
CES1 P23141 2/20 0.42
MLYCD O95822 1/20 0.42
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40

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
Benzil SCHEMBL29000475 0.95 CES2 (0.48) CYP2C9CYP2D6HIF1AUSP5NPC1
Benzophenone SCHEMBL11101215 0.95 ALDH1A1 (0.45) CYP2C9CYP2D6HIF1AUSP5NPC1
SCHEMBL54909 0.93 CYP2C9 (0.50) CYP2C9CYP2D6HIF1AUSP5RAB9A
SCHEMBL11889616 0.89 USP5 (0.42) CYP2C9CYP2D6HIF1AUSP5NPC1
SCHEMBL10942936 0.87 CYP2C9 (0.46) CYP2C9CYP2D6HIF1AUSP5RAB9A
SCHEMBL8957565 0.87 KIF11 (0.46) CYP2C9CYP2D6HIF1AUSP5SMN1; SMN2
SCHEMBL10942172 0.87 CNR1 (0.46) CYP2C9CYP2D6HIF1AUSP5RAB9A
SCHEMBL5746293 0.85 USP5 (0.46) CYP2C9CYP2D6HIF1AUSP5NPC1
SCHEMBL21310 0.84 CES1 (0.56) SMN1; SMN2SRCCES1ALDH1A1MEN1
SCHEMBL9105008 0.84 CES1 (0.56) SMN1; SMN2SRCCES1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130248766-A2 Ink Composition KEIO UNIVERSITY (JP) 2013-09-26 US disclosed
US-20110114891-A1 INK COMPOSITION KEIO UNIVERSITY (JP) 2011-05-19 US disclosed
EP-2295507-A1 INK COMPOSITION Keio University (JP) 2011-03-16 EP disclosed
EP-1765878-A1 PROCESS FOR PHOTOCURING WITH LIGHT EMITTING DIODES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-28 EP disclosed
EP-1729043-A1 Gasket integrated with cover BRIDGESTONE CORPORATION (JP) 2006-12-06 EP disclosed
WO-2005100408-A1 PROCESS FOR PHOTOCURING WITH LIGHT EMITTING DIODES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed
US-4740624-A Process for the preparation of ketones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-04-26 US disclosed
EP-0239641-A1 DI(METH)ACRYLIC ESTERS AND RESIN COMPOSITION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1987-10-07 EP disclosed