SCHEMBL7077048

SCHEMBL7077048

Cc1ccc(S(=O)(=O)OC[C@]2(O)C(C)(C)[C@@]2(O)[C@]2(O)C(O)C2(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
STAT3 P40763 2/20 0.36
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ENPP3 O14638 2/20 0.34
ENPP1 P22413 2/20 0.34
ENPP2 Q13822 2/20 0.34
DHODH Q02127 1/20 0.34
VDR P11473 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4934980 0.82 STAT3 (0.43) CYP2D6STAT3KMT2ASMN1; SMN2VDR
SCHEMBL16641783 0.70 KMT2A (0.49) CYP2D6STAT3CYP1A2KMT2ASMN1; SMN2
SCHEMBL30609565 0.69 KMT2A (0.49) CYP2D6STAT3KMT2ASMN1; SMN2ALDH1A1
SCHEMBL15286533 0.69 KMT2A (0.45) CYP2D6STAT3KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7949968 0.69 CYP2D6 (0.41) CYP2D6STAT3CYP1A2KMT2ASMN1; SMN2
SCHEMBL20569464 0.68 SMN1; SMN2 (0.39) CYP2D6STAT3CYP1A2KMT2ASMN1; SMN2
SCHEMBL17316452 0.68 KMT2A (0.40) CYP2D6STAT3CYP1A2KMT2ASMN1; SMN2
SCHEMBL20898576 0.68 STAT3 (0.41) CYP2D6STAT3KMT2ASMN1; SMN2VDR
SCHEMBL18047923 0.68 SMN1; SMN2 (0.46) CYP2D6STAT3CYP1A2KMT2ASMN1; SMN2
SCHEMBL31585412 0.67 STAT3 (0.40) CYP2D6STAT3CYP1A2KMT2ASMN1; SMN2

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed