SCHEMBL11823209

SCHEMBL11823209

CCCCCCN(CCCCCC)S(=O)(=O)c1ccc(SCc2ccc([N+](=O)[O-])cc2)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MMP1 P03956 3/20 0.40
▸ MMP2 P08253 3/20 0.40

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
SCHEMBL11819669 0.96 ALDH1A1 (0.51) VCAM1ALDH1A1MAPTKMT2ALMNA
SCHEMBL11821357 0.88 CNR2 (0.48) VCAM1ALDH1A1MAPTLMNACA12
SCHEMBL11818580 0.88 CA2 (0.47) VCAM1ALDH1A1MAPTKMT2ACA12
SCHEMBL11822163 0.88 CA2 (0.47) VCAM1ALDH1A1MAPTKMT2ACA12
SCHEMBL11823057 0.87 ALDH1A1 (0.41) VCAM1ALDH1A1MAPTCA12CA9
SCHEMBL11816329 0.87 CNR2 (0.49) VCAM1ALDH1A1MAPTLMNAHTT
SCHEMBL11816192 0.86 MAPT (0.48) VCAM1ALDH1A1MAPTKMT2ALMNA
SCHEMBL11821697 0.85 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AHTTMAPK1
SCHEMBL11820805 0.84 CA2 (0.48) VCAM1ALDH1A1MAPTKMT2ALMNA
SCHEMBL11819726 0.83 LMNA (0.45) VCAM1ALDH1A1MAPTKMT2ALMNA

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-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 — — US disclosed
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