SCHEMBL10486405

SCHEMBL10486405

COC(=O)c1ccc2cc(-c3cccc4c3C3CCC4C3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.50
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
CYP19A1 P11511 1/20 0.48
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
PLAU P00749 8/20 0.44
PLAT P00750 2/20 0.40
PLG P00747 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN11 Q06124 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL10486030 0.86 RARG (0.41) SLC6A3ALDH1A1SMN1; SMN2CHRNB2CHRNA4
SCHEMBL10486289 0.84 MAPK14 (0.43) SLC6A3ALDH1A1CHRNB2CHRNA4
SCHEMBL10486068 0.84 SLC6A3 (0.45) SLC6A3CYP11B1CYP11B2CYP19A1SLC6A4
SCHEMBL10486398 0.83 SLC6A3 (0.53) SLC6A3CYP11B1CYP11B2CYP19A1SLC6A4
SCHEMBL10486065 0.80 SLC6A3 (0.47) SLC6A3CYP11B1CYP11B2CYP19A1SLC6A4
SCHEMBL10247441 0.74 RARG (0.52) SLC6A3SLC6A4SLC6A2ALDH1A1ATM
SCHEMBL13900228 0.72 CYP11B1 (0.69) SLC6A3CYP11B1CYP11B2CYP19A1SLC6A4
SCHEMBL10486417 0.72 RXRA (0.42) SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL16502622 0.71 RBP4 (0.43) SLC6A3SLC6A4SLC6A2PLAUALDH1A1
SCHEMBL16502580 0.71 PDK2 (0.47) SLC6A3SLC6A4SLC6A2PLAUALDH1A1

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-4810694-A SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1989-03-07 US disclosed