SCHEMBL11827713

SCHEMBL11827713

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)S(=O)(=O)c1cc(SCc2cccc(Br)c2)cc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA2 P00918 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ SLC22A8 Q8TCC7 1/20 0.40
▸ ABCC2 Q92887 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ UGT1A7 Q9HAW7 1/20 0.40
▸ SLC22A11 Q9NSA0 1/20 0.40
▸ PTGES O14684 2/20 0.38
▸ ALOX5 P09917 2/20 0.38
▸ P4HB P07237 2/20 0.38
▸ TAS2R14 Q9NYV8 3/20 0.38
▸ MEP1A Q16819 1/20 0.37
▸ MEP1B Q16820 1/20 0.37

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
SCHEMBL11816193 0.96 KMT2A (0.44) KMT2AMEN1HTTCA12CA9
SCHEMBL11815605 0.86 CA12 (0.46) KMT2AMEN1CA12CA9CA2
SCHEMBL11820801 0.85 NPC1 (0.45) KMT2AMEN1HTTRAB9ASMN1; SMN2
SCHEMBL11815261 0.84 CNR2 (0.46) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL11819494 0.83 CNR2 (0.47) HTTCA12CA9CA2RAB9A
SCHEMBL11816911 0.81 CA12 (0.47) KMT2AMEN1HTTCA12CA9
SCHEMBL11819309 0.81 ALDH1A1 (0.43) KMT2AMEN1HTT
SCHEMBL11821805 0.81 KMT2A (0.45) KMT2AMEN1HTTCA12CA9
SCHEMBL11825369 0.81 KMT2A (0.45) KMT2AMEN1HTTCA12CA9
SCHEMBL11818861 0.81 KMT2A (0.45) KMT2AMEN1HTTCA12CA9

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
Send feedback