SCHEMBL5873464

SCHEMBL5873464

CC(C)c1cccc(C(C)C)c1OCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.50
TSHR P16473 3/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 2/20 0.45
GABRB2 P47870 2/20 0.45
FAAH O00519 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
GABRB1 P18505 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL28343628 0.90 TSHR (0.43) GABRA1TSHRGABRG2GABRB3ALOX15
SCHEMBL7771564 0.89 LMNA (0.49) GABRA1TSHRGABRG2GABRB3ALOX15
SCHEMBL17537217 0.86 TSHR (0.44) GABRA1TSHRGABRG2GABRB3ALOX15
SCHEMBL29622761 0.85 GABRA1 (0.41) GABRA1TSHRGABRG2GABRB3ALOX15
SCHEMBL2316130 0.85 GABRA1 (0.41) GABRA1TSHRGABRG2GABRB3ALOX15
SCHEMBL19768964 0.84 GABRA1 (0.40) GABRA1TSHRGABRG2GABRB3ALOX15
SCHEMBL13954295 0.83 GABRA1 (0.54) GABRA1TSHRGABRG2GABRB3ALOX15
SCHEMBL11333625 0.83 TSHR (0.48) GABRA1TSHRGABRG2GABRB3ALOX15
SCHEMBL9042342 0.82 HMGCR (0.41) GABRA1TSHRGABRG2GABRB3ALOX15
SCHEMBL13408055 0.82 TSHR (0.51) GABRA1TSHRGABRG2GABRB3ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US disclosed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US disclosed
WO-1990015441-A1 LASER DYE LIQUIDS, LASER DYE INSTRUMENTS AND METHODS EXCITON INCORPORATED (US) 1990-12-13 WO disclosed
US-4896329-A Laser dye liquids, laser dye instruments and methods EXCITON INCORPORATED (US) 1990-01-23 US disclosed
US-4255152-A USING A DISPERSE DYE, WATER, AND AN ADDUCT OF ETHYLENE, PROPYLENE, OR STYRENE OXIDE AND A CYCLIC-SUBSTITUTED PHENOL; LEVELLING CIBA-GEIGY CORPORATION (US) 1981-03-10 US disclosed