SCHEMBL9240462

SCHEMBL9240462

CCCCCCCCc1ccc(-c2ncc(OCCC(C)CCCCC)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.56
▸ MAPT P10636 5/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ USP2 O75604 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ RARB P10826 5/20 0.47
▸ NPC1 O15118 4/20 0.46
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ SLCO1B3 Q9NPD5 1/20 0.42
▸ SLCO1B1 Q9Y6L6 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9237674 0.94 RAB9A (0.55) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9240704 0.94 RAB9A (0.58) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL10346199 0.92 RAB9A (0.55) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9235695 0.92 RAB9A (0.55) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8075221 0.91 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8075261 0.91 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8073405 0.91 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8077858 0.91 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8072736 0.91 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8080366 0.91 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1

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
US-5389290-A Ferroelectric liquid crystalline materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 — — US disclosed
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