SCHEMBL9722210

SCHEMBL9722210

CS(=O)(=O)OCCCC1Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
S1PR5 Q9H228 1/20 0.36
CDK8 P49336 1/20 0.36
CDK5 Q00535 1/20 0.36
ACHE P22303 1/20 0.34
SLC9A3 P48764 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL9467374 0.96 KDM4E (0.43) MTNR1AMTNR1BKDM4EUSP2ALDH1A1
SCHEMBL4637265 0.82 MTNR1A (0.42) MTNR1AMTNR1BKDM4EUSP2ALDH1A1
SCHEMBL9370324 0.81 MTNR1A (0.39) MTNR1AMTNR1BSLC9A3HTR2A
SCHEMBL11845112 0.79 HTR2A (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7279155 0.73 CA2 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5635575 0.73 IDO1 (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL11845812 0.73 HTR2A (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL10732206 0.73 HTR2A (0.41) MTNR1AMTNR1BKDM4EUSP2ALDH1A1
SCHEMBL11837153 0.73 HTR2A (0.46) HTR2A
SCHEMBL14143008 0.70 CA2 (0.45) MTNR1AMTNR1BACHE

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
US-5173490-A Antipsychotic drugs having no side effects; anxiolytic agents; analgesics; tranquilizers; sedatives; antidepressants ADIR ET COMPAGNIE (FR) 1992-12-22 US disclosed