SCHEMBL6826004

SCHEMBL6826004

Cc1ccc(C2=C(C(=O)Nc3cc[c]c(C(C)(C)C)c3)CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.43
▸ TP53 P04637 6/20 0.41
▸ NPC1 O15118 6/20 0.39
▸ RAB9A P51151 6/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NFKB1 P19838 3/20 0.39
▸ NFKB2 Q00653 3/20 0.39
▸ RELA Q04206 3/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ SLC6A3 Q01959 7/20 0.37
▸ POLB P06746 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CACNA1B Q00975 1/20 0.35
▸ APBA1 Q02410 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6499683 0.71 PTGS2 (0.42) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6678240 0.70 SLC6A2 (0.45) SLC6A2NPC1RAB9ALMNA
SCHEMBL6488746 0.70 MAPT (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6676886 0.69 APOB (0.46) KDM4E
SCHEMBL6677499 0.68 NPC1 (0.50) SLC6A2NPC1RAB9ADHODHTHRB
SCHEMBL6491055 0.68 APOB (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6493029 0.68 SLC6A3 (0.55) SLC6A2SMN1; SMN2ALDH1A1SLC6A3SLC6A4
SCHEMBL6502875 0.68 SLC6A3 (0.55) SLC6A2SMN1; SMN2ALDH1A1SLC6A3SLC6A4
SCHEMBL6491174 0.68 SLC6A3 (0.55) SLC6A2SMN1; SMN2ALDH1A1SLC6A3SLC6A4
SCHEMBL6502878 0.68 SLC6A3 (0.55) SLC6A2SMN1; SMN2ALDH1A1SLC6A3SLC6A4

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
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 — — WO disclosed
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