SCHEMBL7973186

SCHEMBL7973186

O=C(O)CCCCCNS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.90
TBXA2R P21731 1/20 0.72
NPY1R P25929 1/20 0.63
NPY5R Q15761 1/20 0.63
FABP4 P15090 2/20 0.59
TBXAS1 P24557 1/20 0.58
EPHX1 P07099 1/20 0.57
MAPK1 P28482 1/20 0.56

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
SCHEMBL6792727 0.94 ALDH1A1 (1.00) ALDH1A1TBXA2RNPY1RNPY5RFABP4
SCHEMBL6792532 0.89 ALDH1A1 (0.84) ALDH1A1TBXA2RNPY1RNPY5R
SCHEMBL3147274 0.88 ALDH1A1 (0.73) ALDH1A1TBXA2RNPY1RNPY5R
SCHEMBL11626883 0.86 ALDH1A1 (0.67) ALDH1A1TBXA2RNPY1RNPY5R
SCHEMBL7960250 0.84 ALDH1A1 (0.65) ALDH1A1TBXA2RNPY1RNPY5R
SCHEMBL9567621 0.84 ALDH1A1 (1.00) ALDH1A1TBXA2RFABP4
SCHEMBL9869808 0.84 ALDH1A1 (1.00) ALDH1A1TBXA2RFABP4
SCHEMBL9567728 0.84 ALDH1A1 (1.00) ALDH1A1TBXA2RFABP4
SCHEMBL9869749 0.84 ALDH1A1 (1.00) ALDH1A1TBXA2RFABP4
SCHEMBL599970 0.84 ALDH1A1 (1.00) ALDH1A1TBXA2RFABP4

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
US-6271247-B1 BINDING TO NEUROPEPTIDE RECEPTORS ADIR ET COMPAGNIE (FR) 2001-08-07 US disclosed
US-6172108-B1 NEUROPEPTIDE Y RECEPTOR LIGANDS; TREATING PSYCHOLOGICAL, EATING, SLEEP, AND SEXUAL DISORDERS; HYPOTENSIVE, ANXIOLYTIC, ANTIDEPRESSANT, AND ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 2001-01-09 US disclosed