SCHEMBL8065717

SCHEMBL8065717

CCCCCCCCCCc1ccc(-c2ncc(OCCC(F)CCCC(C)CCC)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.49
▸ MAPT P10636 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ USP2 O75604 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RARB P10826 5/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ SPHK2 Q9NRA0 2/20 0.37
▸ SPHK1 Q9NYA1 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ SLCO1B3 Q9NPD5 1/20 0.37

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
SCHEMBL8077904 1.00 RAB9A (0.49) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8080038 1.00 RAB9A (0.49) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8078270 1.00 RAB9A (0.49) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8074636 1.00 RAB9A (0.49) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8075261 0.97 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8074632 0.97 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8065227 0.97 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8077858 0.97 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8078010 0.97 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8078521 0.97 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093345-A PYRIMIDINE COMPOUNDS, ELECTROOPTICS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-07-25 — — US disclosed
US-5454976-A Optical active mixture comprising a fluoro-alkyl phenyl pyrimidine compounds; high contrast ratio, fast response time; optical switches, printer shutter arrays TAKASAGO INTERNATIONAL CORPORATION (JP) 1995-10-03 — — US disclosed
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