SCHEMBL7790534

SCHEMBL7790534

O=C(O)C1CCc2c(cccc2S(=O)(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
NPY5R Q15761 3/20 0.38
PPARD Q03181 1/20 0.38
TBXA2R P21731 2/20 0.37
S1PR5 Q9H228 1/20 0.37
KMT2A Q03164 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ACHE P22303 2/20 0.36
HTR6 P50406 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MCL1 Q07820 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 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
SCHEMBL7790536 0.88 CYP1A2 (0.41) CYP1A2NPY5RPPARDS1PR5KMT2A
SCHEMBL7787658 0.80 DRD2 (0.38) CA1CA2ACHEHTR6DRD2
SCHEMBL7778584 0.73 MTNR1A (0.61) CYP1A2CA1CA2ACHEDRD2
SCHEMBL8080874 0.73 MTNR1A (0.61) CYP1A2CA1CA2ACHEDRD2
SCHEMBL8605995 0.73 MTNR1A (0.61) CYP1A2CA1CA2ACHEDRD2
SCHEMBL11117006 0.73 TTR (0.41) CYP1A2KMT2A
SCHEMBL2073043 0.73 PPARD (0.46) PPARDTBXA2RS1PR5KMT2ACA1
SCHEMBL12828067 0.73 PPARD (0.48) PPARDS1PR5KMT2AMCL1
SCHEMBL2073041 0.73 PPARD (0.46) PPARDTBXA2RS1PR5KMT2ACA1
SCHEMBL2073038 0.73 PPARD (0.46) PPARDTBXA2RS1PR5KMT2ACA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672405-B1 Hair treatment composition KAO CORP (JP) 2001-11-14 EP disclosed
US-6217855-B1 ELASTICITY KAO CORPORATION (JP) 2001-04-17 US disclosed
EP-0529437-B1 Hair treatment composition KAO CORP (JP) 1996-07-17 EP disclosed
EP-0672405-A1 Hair treatment composition KAO CORPORATION (JP) 1995-09-20 EP disclosed
EP-0529437-A1 Hair treatment composition Kao Corporation (JP) 1993-03-03 EP disclosed