SCHEMBL9237674

SCHEMBL9237674

CCCCCCCCc1ccc(-c2ncc(OCCCCC(C)CCC)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.55
▸ MAPT P10636 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ USP2 O75604 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ RARB P10826 5/20 0.46
▸ NPC1 O15118 4/20 0.45
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ SLCO1B3 Q9NPD5 1/20 0.41
▸ SLCO1B1 Q9Y6L6 1/20 0.41
▸ 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
SCHEMBL9240462 0.94 RAB9A (0.56) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL10346199 0.93 RAB9A (0.55) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9235695 0.93 RAB9A (0.55) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9240704 0.93 RAB9A (0.58) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9819418 0.92 RAB9A (0.54) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9361368 0.92 RAB9A (0.54) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9357759 0.92 RAB9A (0.54) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9361463 0.92 RAB9A (0.54) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9752441 0.91 RARB (0.52) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9238778 0.91 RARB (0.52) 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 2 patents. 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
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 — — EP disclosed
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