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
SCHEMBL1506206 0.77 LTA4H (0.44) RAB9A
SCHEMBL26312610 0.77 KCNA3 (0.44) HRH3KCNH2DRD1HTR2ADRD3
SCHEMBL1506385 0.77 CYP3A4 (0.41) HRH3CYP3A4CYP2C9
SCHEMBL26312609 0.77 FURIN (0.42) —
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
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