SCHEMBL4419730

SCHEMBL4419730

Cc1ccc(S(=O)(=O)Oc2ccc(C)cc2C(CCOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAPT P10636 8/20 0.38
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CA9 Q16790 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
PKM P14618 1/20 0.36
GPR17 Q13304 1/20 0.36
ESR1 P03372 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL4407478 0.99 ALPL (0.40) ALPLALPICYP19A1MAPTALDH1A1
SCHEMBL4881596 0.89 MAPT (0.42) ALPLMAPTALDH1A1KMT2AMEN1
SCHEMBL4878959 0.88 ALPL (0.40) ALPLALPICYP19A1MAPTALDH1A1
SCHEMBL4878918 0.86 CHRM2 (0.53) ALPLALPICYP19A1MAPTALDH1A1
SCHEMBL4001032 0.83 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL4057724 0.80 LMNA (0.43) CYP19A1MAPTALDH1A1KMT2AMEN1
SCHEMBL4878565 0.78 MAPT (0.60) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL4002446 0.78 CHRM2 (0.59) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL4655851 0.77 LMNA (0.44) ALDH1A1NPSR1CA9LMNAPKM
SCHEMBL4881541 0.77 MAPT (0.43) ALPLMAPTALDH1A1KMT2AMEN1

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-2016042-A1 PROCESS FOR PREPARING TOLTERODINE OR ITS SALT AND SYNTHETIC INTERMEDIATE Estechpharma Co. Ltd. (KR) 2009-01-21 EP disclosed
WO-2007126217-A1 PROCESS FOR PREPARING TOLTERODINE OR ITS SALT AND SYNTHETIC INTERMEDIATE ESTECHPHARMA CO., LTD. (KR) 2007-11-08 WO disclosed