SCHEMBL8531460

SCHEMBL8531460

CCc1cccc(/C=C/C#C/C=C/c2cccc(CC)c2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GABRA1 P14867 4/20 0.33
▸ GABRB2 P47870 4/20 0.33
▸ LMNA P02545 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL18709047 0.78 ALDH1A1 (0.39) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL27759679 0.70 MAPT (0.48) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL8459429 0.70 PDCD1 (0.50) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL11383927 0.69 GABRA1 (0.40) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL980893 0.68 GABRA1 (0.50) KDM4EALDH1A1HPGDHSD17B10GABRA1
SCHEMBL29047890 0.68 GABRA1 (0.40) MAPTKDM4EALDH1A1HPGDCYP1A2
Phosphine SCHEMBL9579776 0.68 PDCD1 (0.48) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL30481171 0.68 GABRA1 (0.40) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL6278707 0.68 KDM4E (0.43) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL1786392 0.67 GABRA1 (0.39) MAPTKDM4EALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 — — EP disclosed
US-5635108-A A HEXYNEDIENE DERIVATIVE CHISSO CORPORATION (JP) 1997-06-03 — — US disclosed
EP-0733610-A1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device Chisso Corporation (JP) 1996-09-25 — — EP disclosed
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