SCHEMBL5066385

SCHEMBL5066385

CCCCCCCCCCNC(=O)c1ccc2c3ccc(C(=O)NCCCCCCCCC)c4c(C(=O)NCCCCCCCCC)ccc(c5ccc(C(=O)NC(=O)c6ccc7c8ccc(C(=O)NCCCCCCCCC)c9c(C(=O)NCCCCCCCCC)ccc(c%10ccc(C(=O)NCCCCCCCCCC)c6c%107)c98)c1c25)c43

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 4/20 0.55
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ ALOX5 P09917 3/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HPGD P15428 3/20 0.49
▸ MLYCD O95822 1/20 0.46
▸ CA2 P00918 1/20 0.45
▸ ALOX15 P16050 2/20 0.44
▸ CASP2 P42575 1/20 0.44

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
SCHEMBL6687072 1.00 NAAA (0.55) NAAAALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL30194975 0.90 NAAA (0.54) NAAAALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL29850750 0.90 NAAA (0.54) NAAAALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL1270417 0.90 NAAA (0.54) NAAAALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL284968 0.90 NAAA (0.54) NAAAALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL14823376 0.90 NAAA (0.54) NAAAALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL418872 0.90 NAAA (0.54) NAAAALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL17361220 0.89 NAAA (0.66) NAAAALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL10892084 0.88 TSHR (0.51) NAAAALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL30875601 0.88 TSHR (0.51) NAAAALDH1A1LMNASMN1; SMN2TSHR

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-20080032418-A1 Cell Free Assay Systems For Identifying A Substance Of Interest ADAMS DAVID 2008-02-07 — — US disclosed
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