SCHEMBL7724347

SCHEMBL7724347

C=COCCOc1ccc(C2CCC(c3ccc(OCCOC=C)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.44
KCNH2 Q12809 4/20 0.44
CYP3A4 P08684 4/20 0.43
CYP2C9 P11712 4/20 0.43
RAB9A P51151 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL677295 0.92 HRH3 (0.55) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL419937 0.83 THRB (0.41)
SCHEMBL14190729 0.78 HRH3 (0.49) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL26312610 0.77 KCNA3 (0.44) HRH3KCNH2DRD1HTR2ADRD3
SCHEMBL1506385 0.77 CYP3A4 (0.41) HRH3CYP3A4CYP2C9
SCHEMBL26312609 0.77 FURIN (0.42)
SCHEMBL1506206 0.77 LTA4H (0.44) RAB9A
SCHEMBL31267768 0.77 CA12 (0.47) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL2569759 0.77 THRB (0.35)
SCHEMBL6985917 0.76 HRH3 (0.50) HRH3KCNH2CYP3A4CYP2C9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395450-B1 MIXTURE OF ACID GENERATOR, BINDER AND SOLVENT SAMSUNG ELECTRONICS CO., LTD. (KR) 2002-05-28 US claimed
US-6395450-B1 MIXTURE OF ACID GENERATOR, BINDER AND SOLVENT SAMSUNG ELECTRONICS CO., LTD. (KR) 2002-05-28 US disclosed