SCHEMBL18633232

SCHEMBL18633232

C/C=C1\c2ccccc2C(=O)c2cc(C(C)OC(=O)n3ccnc3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 1/20 0.35
▸ CYP17A1 P05093 2/20 0.34
▸ CYP26A1 O43174 4/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ TBXAS1 P24557 1/20 0.31

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
SCHEMBL15468481 0.93 CYP17A1 (0.39) CYP24A1CYP17A1CYP26A1PTGS2MEN1
SCHEMBL18633230 0.88 NR1H3 (0.37) CYP24A1CYP17A1CYP26A1PTGS2MEN1
SCHEMBL19871338 0.79 TTR (0.40) MEN1NPC1ALDH1A1MAPTMAOA
SCHEMBL6565471 0.76 FAAH (0.48) CYP24A1CYP17A1CYP26A1FAAHMGLL
SCHEMBL16697922 0.76 FAAH (0.48) CYP24A1CYP17A1CYP26A1FAAHMGLL
SCHEMBL23409278 0.76 FAAH (0.48) CYP24A1CYP17A1CYP26A1FAAHMGLL
SCHEMBL12269081 0.71 ALDH1A1 (0.53) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL28857883 0.70 ALDH1A1 (0.49) MEN1NPC1ALDH1A1MAPTMAOA
SCHEMBL18412608 0.69 ALDH1A1 (0.37) MEN1NPC1ALDH1A1MAPTMAOA
SCHEMBL28857884 0.69 TTR (0.49) MEN1NPC1ALDH1A1MAPTMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2695921-B1 Active ray-curable composition, and active ray-curable inkjet printing ink composition and active ray-curable adhesive composition using the same RICOH CO LTD (JP) 2017-03-15 — — EP disclosed
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