SCHEMBL8716741

SCHEMBL8716741

CCCCCCCCCCOc1ccc(-c2ccc(CCC(C)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
RARB P10826 3/20 0.54
NR5A1 Q13285 1/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
PLA2G4B P0C869 1/20 0.49
S1PR1 P21453 2/20 0.47
S1PR4 O95977 1/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL9733079 0.96 HRH3 (0.59) HRH3NR5A1LMNACYP3A4MEN1
SCHEMBL9096987 0.92 MEN1 (0.56) HRH3RARBNR5A1LMNACYP3A4
SCHEMBL9682013 0.86 RAB9A (0.62) HRH3ALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL10709053 0.86 RARB (0.50) RARBNR5A1LMNACYP3A4MEN1
SCHEMBL10748461 0.86 RARB (0.50) RARBNR5A1LMNACYP3A4MEN1
SCHEMBL10709063 0.86 RARB (0.50) RARBNR5A1LMNACYP3A4MEN1
SCHEMBL10748452 0.86 RARB (0.50) RARBNR5A1LMNACYP3A4MEN1
SCHEMBL7864933 0.85 RAB9A (0.51) HRH3RARBNR5A1LMNACYP3A4
SCHEMBL7862172 0.85 RAB9A (0.51) HRH3RARBNR5A1LMNACYP3A4
SCHEMBL9634468 0.85 RARB (0.56) RARBNR5A1CYP3A4MEN1KMT2A

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
US-5741438-A Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as an effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-21 US disclosed
EP-0395390-B1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-09-28 EP disclosed
EP-0395390-A1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 EP disclosed