SCHEMBL28490262

SCHEMBL28490262

CCCCCOc1ccc(CCc2ccc(N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ NR5A1 Q13285 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ SLCO1B3 Q9NPD5 1/20 0.53
▸ SLCO1B1 Q9Y6L6 1/20 0.53
▸ TSHR P16473 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ LTA4H P09960 2/20 0.51
▸ S1PR4 O95977 1/20 0.51
▸ S1PR1 P21453 1/20 0.51
▸ S1PR3 Q99500 1/20 0.51

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
SCHEMBL9826558 0.96 RAB9A (0.59) NPC1RAB9AMEN1USP2ALDH1A1
SCHEMBL8942775 0.95 MEN1 (0.59) NPC1RAB9ANR5A1MEN1USP2
SCHEMBL8942880 0.93 MEN1 (0.61) NPC1RAB9ANR5A1MEN1USP2
SCHEMBL294772 0.91 NR5A1 (0.62) NPC1RAB9ANR5A1LMNATSHR
SCHEMBL11667261 0.91 NR5A1 (0.62) NPC1RAB9ANR5A1MEN1USP2
SCHEMBL12587660 0.89 NR5A1 (0.66) NPC1RAB9ANR5A1MEN1USP2
SCHEMBL29962325 0.89 NR5A1 (0.66) NPC1RAB9ANR5A1MEN1USP2
SCHEMBL4948516 0.89 NR5A1 (0.66) NPC1RAB9ANR5A1ALDH1A1LMNA
SCHEMBL1312330 0.89 NR5A1 (0.66) NPC1RAB9ANR5A1ALDH1A1LMNA
SCHEMBL5049181 0.89 NR5A1 (0.66) NPC1RAB9ANR5A1ALDH1A1LMNA

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
CN-112055832-B Liquid crystal aligning agent and manufacturing method thereof, liquid crystal alignment film and manufacturing method thereof, and liquid crystal element JSR株式会社 2023-12-05 — — CN disclosed
CN-112055832-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal element JSR株式会社 2020-12-08 — — CN disclosed
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