SCHEMBL13288366

SCHEMBL13288366

CCCC1(C)COc2ccc3ccccc3c2-c2c(ccc3ccccc23)OC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
HTR2B P41595 2/20 0.48
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP19A1 P11511 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 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
SCHEMBL13513020 0.92 HTR1A (0.46) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL14062625 0.81 HTR1A (0.48) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL27016678 0.73 GPR84 (0.44) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL18503067 0.73 CYP1A2 (0.43) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL16922988 0.72 CYP2C19 (0.50) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL8231432 0.71 GPR84 (0.52) CYP1A2CYP2C19CYP19A1GPR84KDM4E
SCHEMBL18509342 0.70 CYP19A1 (0.44) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL15613460 0.69 CYP19A1 (0.46) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL12284409 0.69 GPR84 (0.49) CYP1A2CYP2C19CYP19A1GPR84KDM4E
SCHEMBL12283811 0.69 GPR84 (0.49) CYP1A2CYP2C19CYP19A1GPR84KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727417-B2 Optically isotropic liquid crystal medium and optical device CHISSO CORPORATION (JP) 2010-06-01 US disclosed
US-20090059157-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2009-03-05 US disclosed
US-20090059132-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT CHISSO CORPORATION (JP) 2009-03-05 US disclosed
US-20090051855-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE CHISSO CORPORATION (JP) 2009-02-26 US disclosed