SCHEMBL2748993

SCHEMBL2748993

CCCCCCCCC1(C2CCCCCC2)CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
NAAA Q02083 2/20 0.35
EPHX1 P07099 9/20 0.34
SIGMAR1 Q99720 2/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
EPHX2 P34913 2/20 0.33

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
SCHEMBL7738990 1.00 CYP1A2 (0.38) CYP1A2NAAAEPHX1SIGMAR1BACE1
SCHEMBL8861201 1.00 CYP1A2 (0.38) CYP1A2NAAAEPHX1SIGMAR1BACE1
SCHEMBL27616200 1.00 CYP1A2 (0.38) CYP1A2NAAAEPHX1SIGMAR1BACE1
SCHEMBL10337151 1.00 CYP1A2 (0.38) CYP1A2NAAAEPHX1SIGMAR1BACE1
SCHEMBL10337191 1.00 CYP1A2 (0.38) CYP1A2NAAAEPHX1SIGMAR1BACE1
SCHEMBL21462929 0.98 CYP1A2 (0.39) CYP1A2NAAAEPHX1SIGMAR1BACE1
SCHEMBL8861264 0.98 CYP1A2 (0.39) CYP1A2NAAAEPHX1SIGMAR1BACE1
SCHEMBL11284470 0.94 EPHX1 (0.35) CYP1A2NAAAEPHX1SIGMAR1BACE1
Benzene SCHEMBL27639394 0.93 BACE1 (0.38) CYP1A2BACE1BACE2
SCHEMBL9094828 0.92 EPHX1 (0.32) CYP1A2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227215-B1 COMPOSITIONS CONTAINING A SOLVATED ACTIVE AGENT SUITABLE FOR DISPENSING AS A COMPRESSED GAS AEROSOL JOHNSON & SON INC S C (US) 2017-04-05 EP disclosed
US-9364007-B2 Compositions containing a solvated active agent suitable for dispensing as a compressed gas aerosol S. C. JOHNSON & SONS, INC. (US) 2016-06-14 US disclosed
US-20150181891-A1 Compositions Containing A Solvated Active Agent Suitable For Dispensing As A Compressed Gas Aerosol S. C. JOHNSON & SON, INC. (US) 2015-07-02 US disclosed
US-9044414-B2 Compositions containing a solvated active agent for dispensing as a gas aerosol S.C. JOHNSON & SON, INC. (US) 2015-06-02 US disclosed
US-20120213711-A1 Compositions Containing A Solvated Active Agent Suitable For Dispensing As A *** Gas Aerosol CLARK PAUL A (US) 2012-08-23 US disclosed
US-8178078-B2 Compositions containing a solvated active agent suitable for dispensing as a compressed gas aerosol S.C. JOHNSON & SON, INC. (US) 2012-05-15 US disclosed
EP-2227215-A2 COMPOSITIONS CONTAINING A SOLVATED ACTIVE AGENT SUITABLE FOR DISPENSING AS A COMPRESSED GAS AEROSOL S.C. Johnson & Son, Inc. (US) 2010-09-15 EP disclosed
US-20090311195-A1 Compositions containing a solvated active agent suitable for dispensing as a compressed gas aerosol S.C. JOHNSON & SON, INC. 2009-12-17 US disclosed
WO-2009151572-A2 COMPOSITIONS CONTAINING A SOLVATED ACTIVE AGENT SUITABLE FOR DISPENSING AS A COMPRESSED GAS AEROSOL S. C. JOHNSON & SON, INC. (US) 2009-12-17 WO disclosed