SCHEMBL6554516

SCHEMBL6554516

CC(=O)Oc1cccc(S(=O)(=O)c2ccc(C[C@@H](C)N)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
NAMPT P43490 3/20 0.43
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
MTNR1B P49286 1/20 0.42
TAAR1 Q96RJ0 2/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
SLC6A4 P31645 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL6552730 0.88 POLB (0.66) POLBMAPTPKMLMNATAAR1
SCHEMBL6554514 0.88 MTNR1B (0.41) POLBMAPTPKMNAMPTMTNR1B
SCHEMBL6540974 0.83 ALDH1A1 (0.52) LMNA
SCHEMBL6553063 0.81 KMT2A (0.47) POLBMAPTPKMTAAR1SLC6A4
SCHEMBL6552531 0.81 ESR1 (0.46) POLBMAPTPKMNAMPTMTNR1B
SCHEMBL6680807 0.81 AKR1C3 (0.48) POLB
SCHEMBL6553968 0.81 CYP4F2 (0.42) POLBMAPTPKMNAMPTTAAR1
SCHEMBL6554093 0.81 PNMT (0.43) POLBMAPTPKMNAMPTTAAR1
SCHEMBL694663 0.80 TAAR1 (0.63) LMNACYP3A4TAAR1SLC6A4ACHE
SCHEMBL694664 0.80 TAAR1 (0.63) LMNACYP3A4TAAR1SLC6A4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed