SCHEMBL5807728

SCHEMBL5807728

COc1ccc(C(C)CNC(=O)CCl)cc1S(=O)(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ F10 P00742 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ TP53 P04637 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
SCHEMBL5805852 0.89 PKM (0.47) NPSR1ALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL10638959 0.77 ALDH1A1 (0.46) NPSR1ALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL5804284 0.76 MEN1 (0.50) ALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL10641518 0.75 ALDH1A1 (0.57) NPSR1ALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL5903990 0.75 ACACB (0.45) NPSR1POLB
SCHEMBL5807725 0.75 ACACB (0.45) NPSR1POLB
SCHEMBL20057557 0.74 TRPV4 (0.47) NPSR1ALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL31535977 0.74 TRPV4 (0.56) NPSR1ALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL7913469 0.73 LMNA (0.48) NPSR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL1428388 0.71 ALDH1A1 (0.45) NPSR1ALDH1A1SMN1; SMN2TSHRHPGD

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
WO-2006070285-A2 ENZYMATIC PREPARATION OF AN INTERMEDIATE COMPOUND FOR THE SYNTHESIS OF TAMSULOSIN QUIMICA SINTETICA, S.A. (ES) 2006-07-06 — — WO disclosed
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