SCHEMBL7521265

SCHEMBL7521265

Cc1ccc(S(=O)(=O)O)cc1CCCc1cccc2c1OCCO2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.53
HPGD P15428 1/20 0.41
DRD2 P14416 2/20 0.36
HTR1A P08908 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAPT P10636 1/20 0.34
ROCK2 O75116 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ROCK1 Q13464 1/20 0.34
ALDH1A1 P00352 2/20 0.34
DAO P14920 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7525831 0.82 MTNR1A (0.46) MTNR1AHPGDALDH1A1
SCHEMBL10598218 0.79 SNCA (0.39) HPGDMAPTCYP2C9ALDH1A1GAA
SCHEMBL10596213 0.73 ALDH1A1 (0.41) HPGDMAPTCYP2C9ALDH1A1GAA
SCHEMBL8482119 0.73 MTNR1A (0.49) MTNR1AHPGDMAPTALDH1A1PKM
SCHEMBL28542745 0.72 CA2 (0.45) MAPTALDH1A1GAA
SCHEMBL4620923 0.72 S1PR3 (0.43) HPGDMAPTALDH1A1GAASMN1; SMN2
SCHEMBL2058018 0.72 ALDH1A1 (0.35) HPGDMAPTALDH1A1GAA
SCHEMBL10652394 0.71 S1PR3 (0.45) HPGDMAPTCYP3A4ALDH1A1GAA
SCHEMBL6259776 0.71 S1PR3 (0.36) HPGDMAPTCYP3A4CYP2D6ALDH1A1
SCHEMBL16028578 0.71 CA2 (0.42) MAPTALDH1A1GAA

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-0873993-B1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-02-20 EP disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP disclosed