SCHEMBL6709141

SCHEMBL6709141

CCCCOc1cccc(C)c1OCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CHRM2 P08172 2/20 0.49
LMNA P02545 2/20 0.49
CHRM1 P11229 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
ACHE P22303 1/20 0.49
KCNH2 Q12809 1/20 0.49
HIF1A Q16665 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR1A P08908 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 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
SCHEMBL8974666 0.93 MCHR1 (0.48) CYP1A2CYP2C9CYP2C19CHRM2LMNA
SCHEMBL11331788 0.93 MCHR1 (0.48) CYP1A2CYP2C9CYP2C19CHRM2LMNA
1-Methoxy-2-Butoxybenzene SCHEMBL9123598 0.90 HTR1A (0.54) CYP1A2CYP2C9CYP2C19LMNASMN1; SMN2
SCHEMBL1238407 0.88 LMNA (0.60) CYP1A2CYP2C9CYP2C19CHRM2LMNA
SCHEMBL4382775 0.88 ALDH1A1 (0.55) CYP1A2CYP2C9LMNATSHRKCNH2
SCHEMBL8222541 0.84 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19CHRM2LMNA
SCHEMBL12301281 0.84 SMN1; SMN2 (0.61) CYP1A2LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL16958650 0.83 CHRM2 (0.43) CYP1A2CYP2C9CYP2C19CHRM2LMNA
SCHEMBL19056885 0.82 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19CHRM2LMNA
SCHEMBL4740590 0.82 HTR1B (0.62) CYP1A2CYP2C9CYP2C19LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62020548-A None JP disclosed
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed
EP-2711419-A1 CELL DIFFERENTIATION INDUCER AND DIFFERENTIATION INDUCING METHOD The University of Tokushima (JP) 2014-03-26 EP disclosed
CN-1920667-A Photosensitive slurry SUMITOMO CHEMICAL CO (JP) 2007-02-28 CN disclosed
US-20040259019-A1 Positive photosensitive composition SUMITOMO CHEMICAL COMPANY, LIMITED 2004-12-23 US disclosed
CN-1525248-A Positivity light-sensitive composition 住友化学工业株式会社 2004-09-01 CN disclosed
JP-S6220548-A ACRYLONITRILE RESIN COMPOSITION FOR DRAW BLOW MOLDING YOSHINO KOGYOSHO CO LTD 1987-01-29 JP disclosed
US-4405467-A ADAMANTANE AND TRIMETHYLENENORBORNANE OR CYCLODODECANE IDEMITSU KOSAN COMPANY LIMITED (JP) 1983-09-20 US disclosed
US-4301043-A COMPRISING ADAMANTANE AND TRIMETHYLENENORBORNANE IDEMITSU KOSAN COMPANY LIMITED (JP) 1981-11-17 US disclosed
US-4233161-A CARRIERS FOR PERFUME, MOTHPROOFING AGENT, OR DEODORANT IDEMITSU KOSAN COMPANY LIMITED (JP) 1980-11-11 US disclosed
US-4208182-A PRETREATMENT OF AN ACETATE WITH AN AMINE; DISPERSE DYES; FADING INHIBITION TOYO INK MANUFACTURING CO., LTD. (JP) 1980-06-17 US disclosed