SCHEMBL9375601

SCHEMBL9375601

CCCCCCCCCCc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.56
RARB P10826 8/20 0.50
RARA P10276 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RARG P13631 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50
KAT8 Q9H7Z6 2/20 0.48
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 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
SCHEMBL10489192 0.89 KAT8 (0.56) GCGRALDH1A1MAPTKAT8ESR1
SCHEMBL7041547 0.89 KAT8 (0.56) GCGRALDH1A1MAPTKAT8ESR1
SCHEMBL9001607 0.89 KAT8 (0.56) GCGRALDH1A1MAPTKAT8ESR1
SCHEMBL9586705 0.89 KAT8 (0.56) GCGRALDH1A1MAPTKAT8ESR1
SCHEMBL7094143 0.89 KAT8 (0.56) GCGRALDH1A1MAPTKAT8ESR1
SCHEMBL24599560 0.87 KAT8 (0.54) GCGRALDH1A1MAPTKAT8ESR1
SCHEMBL9378536 0.84 RARB (0.55) GCGRRARBALDH1A1MEN1MAPT
SCHEMBL1025706 0.83 POLB (0.51) GCGRALDH1A1MAPTKAT8KDM4E
SCHEMBL11007381 0.81 POLB (0.55) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL11001841 0.81 POLB (0.55) ALDH1A1MAPTKDM4ELMNATP53

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-0393613-B1 Mesomorphic compound, liquid crystal composition containing same and liquid crystal device using same CANON KK (JP) 1994-09-14 EP disclosed
US-5190690-A MESOMORPHIC COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING SAME AND LIQUID CRYSTAL DEVICE USING SAME CANON KABUSHIKI KAISHA (JP) 1993-03-02 US disclosed
EP-0393613-A1 Mesomorphic compound, liquid crystal composition containing same and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1990-10-24 EP disclosed