SCHEMBL6010112

SCHEMBL6010112

CC(=O)OCCc1nc(C)c(C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAD52 P43351 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPT P10636 1/20 0.34
TKT P29401 1/20 0.34
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL6257799 0.75 TDP1 (0.34) SLC6A3MAPTSMN1; SMN2
SCHEMBL1267025 0.72 ALDH1A1 (0.45) HTTALDH1A1TSHRL3MBTL1LMNA
SCHEMBL6010212 0.71 NOS1 (0.39) SLC6A3MAPT
SCHEMBL27698665 0.71 ALDH1A1 (0.41) HTTALDH1A1TSHRL3MBTL1CYP1A2
SCHEMBL29005884 0.70 CYP1A2 (0.74) HTTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL28589456 0.70 ALDH1A1 (0.43) HTTALDH1A1TSHRL3MBTL1CYP1A2
SCHEMBL28594511 0.70 HRH2 (0.54) ALDH1A1CYP1A2TKTCHRM2CHRM4
SCHEMBL114032 0.69 NOS1 (0.41) ALDH1A1SLC6A3MAPTSMN1; SMN2RECQL
SCHEMBL27970992 0.68 SLC6A3 (0.41) ALDH1A1TSHRSLC6A3SMN1; SMN2HPGD
SCHEMBL11458947 0.67 NOS1 (0.39) SLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368029-A4 METHOD AND COMPOSITION FOR REJUVINATING CELLS, TISSUES, ORGANS, HAIR AND NAILS FARRINGTON PHARMACEUTICALS LLC (US) 2006-02-15 EP disclosed
EP-1368029-A2 METHOD AND COMPOSITION FOR REJUVINATING CELLS, TISSUES, ORGANS, HAIR AND NAILS Farrington Pharmaceuticals, LLC (US) 2003-12-10 EP disclosed
WO-2002062301-A2 METHOD AND COMPOSITION FOR REJUVINATING CELLS, TISSUES, ORGANS, HAIR AND NAILS FARRINGTON PHARMACEUTICALS, LLC (US) 2002-08-15 WO disclosed