SCHEMBL7523915

SCHEMBL7523915

Cc1ccc(OCCC(=O)O)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
PPARG P37231 2/20 0.47
USP2 O75604 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MCL1 Q07820 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
CREBBP Q92793 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3724645 0.83 TSHR (0.66) TSHRL3MBTL1LMNAALDH1A1PPARG
SCHEMBL4613242 0.83 PTGDR2 (0.60) TSHRL3MBTL1ALDH1A1CYP3A4USP2
SCHEMBL10791590 0.83 USP2 (0.57) TSHRL3MBTL1LMNAALDH1A1USP2
SCHEMBL6536100 0.81 LMNA (0.54) L3MBTL1LMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL23268917 0.81 LMNA (0.66) TSHRL3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL10359783 0.81 PPARG (0.67) TSHRL3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL13282757 0.81 PTGDR2 (0.57) TSHRLMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL22660224 0.81 LMNA (0.49) TSHRL3MBTL1LMNAPPARGUSP2
SCHEMBL25586358 0.81 PTGDR2 (0.48) TSHRL3MBTL1LMNAALDH1A1USP2
SCHEMBL26451030 0.81 LMNA (0.66) TSHRL3MBTL1LMNAALDH1A1PPARG

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
US-6451989-B1 INK COMPOSITIONS; BENZENE AND NAPHTHALENE DERIVATIVES LEXMARK INTERNATIONAL, INC. 2002-09-17 US disclosed
US-20020049309-A1 Black azo dyes FUNAI ELECTRIC CO., LTD (JP) 2002-04-25 US disclosed
US-6288217-B1 DISAZO DYES LEXMARK INTERNATIONAL, INC. 2001-09-11 US disclosed