SCHEMBL3894693

SCHEMBL3894693

OCCSc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.51
BACE1 P56817 7/20 0.50
CNR2 P34972 2/20 0.47
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.43
STAT3 P40763 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL38658329 1.00 ANPEP (0.51) ANPEPBACE1CNR2CYP3A4CYP2C9
SCHEMBL8638604 0.91 CA2 (0.48) ANPEPBACE1CNR2CYP3A4CYP2C9
SCHEMBL3968804 0.89 CA2 (0.47) ANPEPBACE1CNR2CYP3A4CYP2C9
SCHEMBL9770073 0.87 BACE1 (0.56) ANPEPBACE1CNR2CYP3A4CYP2C9
SCHEMBL29738643 0.87 BACE1 (0.56) ANPEPBACE1CNR2CYP3A4CYP2C9
SCHEMBL4995317 0.86 BACE1 (0.54) ANPEPBACE1CNR2CYP3A4CYP2C9
SCHEMBL11300596 0.82 ACHE (0.49) ANPEPCNR2CYP3A4CA12CA1
SCHEMBL9365248 0.82 CA2 (0.46) ANPEPBACE1CNR2CYP3A4CYP2C9
SCHEMBL23176846 0.81 ALDH1A1 (0.65) ANPEPBACE1CNR2CYP3A4CYP2C9
SCHEMBL11571563 0.81 BACE1 (0.51) ANPEPBACE1CNR2CYP3A4ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4252848-A2 OXYSTEROLS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2023-10-04 EP disclosed
EP-3529257-B1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2023-05-10 EP disclosed
WO-2018075699-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2018-04-26 WO disclosed
EP-1831728-B1 DISPLAYS HAVING A HIGH REFRACTIVE INDEX, DURABLE HARDCOAT LAYER 3M INNOVATIVE PROPERTIES CO (US) 2009-07-29 EP disclosed
US-7491441-B2 High refractive index, durable hard coats 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-02-17 US disclosed
US-7491441-B2 High refractive index, durable hard coats 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-02-17 US disclosed
US-7491441-B2 High refractive index, durable hard coats 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-02-17 US disclosed
EP-1954732-A1 COMPOSITIONS FOR BRIGHTNESS ENHANCING FILMS General Electric Company (US) 2008-08-13 EP disclosed
WO-2007001811-A1 COMPOSITIONS FOR BRIGHTNESS ENHANCING FILMS GENERAL ELECTRIC COMPANY (US) 2007-01-04 WO disclosed
US-20060293463-A1 Compositions for brightness enhancing films GENERAL ELECTRIC COMPANY 2006-12-28 US disclosed
US-5283262-A Antiinflammatory, antiallergens GLAXO GROUP LIMITED (GB) 1994-02-01 US disclosed
US-5281710-A Antibiotics or antitumor agents THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-25 US disclosed
US-5276159-A Antitumor THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-04 US disclosed
EP-0317206-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-04-28 EP disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP disclosed
US-5109023-A For treating asthma, chronic bronchits, gastrointestinal disorders, anticoagulant, antiinflammatory agent and antiallergens GLAXO GROUP LIMITED (GB) 1992-04-28 US disclosed
US-5099068-A Antiulcer agents, beta-adrenoreceptors or bronchodilator agents for treatment of asthma GLAXO GROUP LIMITED (GB) 1992-03-24 US disclosed
WO-1992002522-A1 DYNEMICIN ANALOGS: SYNTHESES, METHODS OF PREPARATION AND USE SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1992-02-20 WO disclosed
US-4997986-A Respiratory system disorders GLAXO GROUP LIMITED (GB) 1991-03-05 US disclosed
EP-0317206-A2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-05-24 EP disclosed