SCHEMBL13347780

SCHEMBL13347780

CCCC(C)CCCCOc1ccc(-c2ncc(-c3ccc(C)cc3)cn2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 5/20 0.38
▸ MOGAT2 Q3SYC2 4/20 0.38
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ LTB4R Q15722 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL13347782 0.89 RARB (0.45) CYP2C9MOGAT2RARBGRM5HRH3
SCHEMBL14802205 0.87 RARB (0.44) RAB9ASMN1; SMN2KDM4EHSD17B10RARB
SCHEMBL14802203 0.87 RARB (0.44) RAB9ASMN1; SMN2KDM4EHSD17B10RARB
SCHEMBL14802204 0.84 RARB (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL15185246 0.79 MCL1 (0.41) CYP2C9RARBPTPN11S1PR1S1PR3
SCHEMBL14802206 0.79 RARB (0.46) RAB9ASMN1; SMN2KDM4EHSD17B10RARB
SCHEMBL17898354 0.79 DRD2 (0.42) CYP2C9KDM4ERARBCYP2D6CYP3A4
SCHEMBL8984152 0.78 RARB (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL16187781 0.76 RARB (0.52) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8984168 0.76 RARB (0.52) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10

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-20100149446-A1 POLYMER-STABILIZED LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE, METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2010-06-17 — — US disclosed
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