SCHEMBL5529272

SCHEMBL5529272

CCCCCCCCc1ccccc1/N=C\c1ccccc1OCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ CHRM2 P08172 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
SCHEMBL9292208 0.88 CYP3A4 (0.51) CYP2C9CYP3A4CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL1876189 0.88 SMN1; SMN2 (0.48) CYP2C9CYP3A4CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL3000531 0.84 CYP3A4 (0.52) CYP2C9CYP3A4CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL9358818 0.80 CYP3A4 (0.48) CYP2C9CYP3A4CYP2D6THRATHRB
SCHEMBL9215251 0.78 THRA (0.55) CYP2C9CYP3A4THRATHRBHPGD
SCHEMBL11345175 0.78 THRA (0.55) CYP2C9CYP3A4THRATHRBHPGD
SCHEMBL11344012 0.78 THRA (0.55) CYP2C9CYP3A4THRATHRBHPGD
SCHEMBL6669407 0.78 THRA (0.55) CYP2C9CYP3A4THRATHRBHPGD
SCHEMBL10334267 0.76 SMN1; SMN2 (0.60) CYP2C9SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL11862057 0.76 CYP3A4 (0.56) CYP2C9CYP3A4CYP2D6THRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0987776-B1 Metal oxide of porous structure, electrode structure, secondary battery, and methods for producing them CANON KK (JP) 2007-08-22 — — EP disclosed
US-6558847-B1 Metal oxide of porous structure, electrode structure, secondary battery, and methods for producing them CANON KABUSHIKI KAISHA (JP) 2003-05-06 — — US disclosed
US-6372387-B1 Secondary battery having an ion conductive member and manufacturing process thereof CANON KABUSHIKI KAISHA (JP) 2002-04-16 — — US disclosed
EP-0987776-A1 Metal oxide of porous structure, electrode structure, secondary battery, and methods for producing them CANON KABUSHIKI KAISHA (JP) 2000-03-22 — — EP disclosed
EP-0948074-A2 Secondary battery and manufacturing process therefor CANON KABUSHIKI KAISHA (JP) 1999-10-06 — — EP disclosed
US-5888670-A ANODE AND/OR CATHODE FORMED OF A POWDERED CARBONACEOUS MATERIAL HAVING ORIENTED PORES; INTERCALATION AND DEINTERCALATION REACTION OF LITHIUM IONS; HIGH ENERGY DENSITY AND CHARGE-DISCHARGE EFFICIENCY, LONG CYCLE LIFE CANON KABUSHIKI KAISHA (JP) 1999-03-30 — — US disclosed
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