SCHEMBL11819669

SCHEMBL11819669

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ VCAM1 P19320 3/20 0.47
▸ CA12 O43570 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MMP1 P03956 3/20 0.41
▸ MMP2 P08253 3/20 0.41
▸ MMP9 P14780 3/20 0.41
▸ MMP8 P22894 3/20 0.41
▸ MMP13 P45452 3/20 0.41

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
SCHEMBL11823209 0.96 VCAM1 (0.47) ALDH1A1MAPTLMNAHTTVCAM1
SCHEMBL11816192 0.88 MAPT (0.48) ALDH1A1MAPTLMNAHTTVCAM1
SCHEMBL11820805 0.87 CA2 (0.48) ALDH1A1MAPTLMNAVCAM1CA12
SCHEMBL11819726 0.87 LMNA (0.45) ALDH1A1MAPTLMNAHTTVCAM1
SCHEMBL11823574 0.87 MAPT (0.44) ALDH1A1MAPTLMNAHTTVCAM1
SCHEMBL11821697 0.86 ALDH1A1 (0.49) ALDH1A1MAPTHTTCA12CA9
SCHEMBL11821357 0.84 CNR2 (0.48) ALDH1A1MAPTLMNAVCAM1CA12
SCHEMBL11818580 0.83 CA2 (0.47) ALDH1A1MAPTVCAM1CA12CA9
SCHEMBL11822163 0.83 CA2 (0.47) ALDH1A1MAPTVCAM1CA12CA9
SCHEMBL11816329 0.83 CNR2 (0.49) ALDH1A1MAPTLMNAHTTVCAM1

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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