SCHEMBL6203480

SCHEMBL6203480

COc1cccc(C(=O)C(O)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.61
CES1 P23141 2/20 0.61
LMNA P02545 1/20 0.61
GPR139 Q6DWJ6 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
PARP1 P09874 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 2/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
DRD1 P21728 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
KCNH2 Q12809 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51

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
SCHEMBL30185541 0.92 CES2 (0.59) CES2CES1LMNAGPR139NPC1
SCHEMBL10353521 0.92 CES2 (0.59) CES2CES1LMNAGPR139NPC1
SCHEMBL8622126 0.91 CES2 (0.61) CES2CES1LMNAGPR139NPC1
Carbamic Acid SCHEMBL4383137 0.90 PARP1 (0.58) CES2CES1LMNAGPR139NPC1
Benzoin SCHEMBL15326953 0.89 LMNA (0.72) CES2CES1LMNANPC1RAB9A
SCHEMBL139043 0.87 LMNA (0.59) CES2CES1LMNAGPR139NPC1
Acrylic Acid SCHEMBL10353074 0.86 CES2 (0.49) CES2CES1LMNAGPR139NPC1
Bicarbonate SCHEMBL2779583 0.86 LMNA (0.58) CES2CES1LMNAGPR139NPC1
Hydrochloric Acid SCHEMBL11490909 0.85 CES2 (0.51) CES2CES1NPC1RAB9APARP1
Acrylic Acid SCHEMBL10353516 0.83 CES2 (0.51) CES2CES1LMNAGPR139NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101810545-A The method and the photosensitization composition for cosmetics of making up made up in photoactivation OLIER PARIS CO LTD 2010-08-25 CN disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
US-5767288-A DITHIANE-BENZOIN ADDUCTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-16 US disclosed
US-4980096-A Protective coatings; adhesives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-25 US disclosed
US-4740600-A UNBLOCKING WITH ACTINIC RADIATION; PROTECTIVE COATING; THERMOPLASTIC RESIN MIXTURES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-04-26 US disclosed
US-4599273-A PROTECTIVE COATINGS, PRESSURE SENSITIVE ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1986-07-08 US disclosed
EP-0046083-B1 PHOTOLABILE BLOCKED SURFACTANTS AND COMPOSITIONS CONTAINING THE SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-10-16 EP disclosed
US-4478967-A Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-23 US disclosed
US-4467022-A Imaging process and article employing photolabile, blocked surfactant MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-08-21 US disclosed
US-4369244-A ACTINIC RADIATION FILM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-01-18 US disclosed
EP-0046083-A2 Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-02-17 EP disclosed
US-4190602-A PHOTOCHEMICAL SENSITIZERS BY REACTION OF SULFUROUS ACID ESTER OR THIONYL CHLORIDE AND A PRIMARY ALCOHOL CIBA-GEIGY CORPORATION (US) 1980-02-26 US disclosed