SCHEMBL2482277

SCHEMBL2482277

CC(O)CCc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2A6 P11509 1/20 0.52
SIGMAR1 Q99720 3/20 0.50
UGT2B7 P16662 1/20 0.48
HRH3 Q9Y5N1 1/20 0.45
CES2 O00748 1/20 0.45
SOX18 P35713 1/20 0.44
ADRB2 P07550 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
HDAC1 Q13547 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
SCHEMBL9127039 0.89 SIGMAR1 (0.56) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL9126634 0.88 SIGMAR1 (0.54) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL9128987 0.86 SIGMAR1 (0.53) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL9127853 0.86 SIGMAR1 (0.53) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL26846103 0.85 HTR2A (0.56) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL9125921 0.84 TYR (0.54) HTR2ACYP1A2SIGMAR1ADRB2GRIN2D
SCHEMBL8422662 0.82 CYP1A2 (0.53) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL9294768 0.82 HTR2A (0.46) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL24851230 0.81 HTR2A (0.53) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL7900491 0.81 HTR2A (0.53) HTR2AHTR2CHTR2BCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8717565-B2 Optically active functional fluid markers THE LUBRIZOL CORPORATION (US) 2014-05-06 US disclosed
EP-1814848-B9 2,3,4-SUBSTITUTED-CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2011-12-21 EP disclosed
EP-2376894-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS The Lubrizol Corporation (US) 2011-10-19 EP disclosed
EP-2373977-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS The Lubrizol Corporation (US) 2011-10-12 EP disclosed
EP-1814848-B1 2,3,4-SUBSTITUTED-CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2010-07-28 EP disclosed
WO-2010077753-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS THE LUBRIZOL CORPORATION (US) 2010-07-08 WO disclosed
WO-2010077754-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS THE LUBRIZOL CORPORATION (US) 2010-07-08 WO disclosed
US-7183324-B2 2,3,4-substituted cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2007-02-27 US disclosed
US-7183324-B2 2,3,4-substituted cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2007-02-27 US disclosed
US-5422038-A Ferroelectric liquid crystal material with sufficient spontaneous polarization, high speed response capability, wide temperature range SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-06-06 US disclosed
EP-0416946-B1 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-11-09 EP disclosed
EP-0416946-A2 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-13 EP disclosed