SCHEMBL10486398

SCHEMBL10486398

COC(=O)c1ccc2cc(-c3ccc4c(c3)C3CCC4C3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.53
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
CYP19A1 P11511 1/20 0.51
PLAU P00749 8/20 0.49
SLC6A4 P31645 1/20 0.46
PLAT P00750 2/20 0.45
PLG P00747 1/20 0.45
PTPN11 Q06124 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
LCK P06239 1/20 0.42
RARG P13631 2/20 0.41
RARB P10826 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10247441 0.86 RARG (0.52) SLC6A3SLC6A4CHRNB2CHRNA4RARG
SCHEMBL10486022 0.83 RARG (0.51) RARGRARBKDM4EALDH1A1
SCHEMBL10486065 0.83 SLC6A3 (0.47) SLC6A3CYP11B1CYP11B2CYP19A1PLAU
SCHEMBL10486405 0.83 SLC6A3 (0.50) SLC6A3CYP11B1CYP11B2CYP19A1PLAU
SCHEMBL13900228 0.81 CYP11B1 (0.69) SLC6A3CYP11B1CYP11B2CYP19A1PLAU
SCHEMBL10486277 0.81 MAPK14 (0.45) SLC6A3CHRNB2CHRNA4RARGRARB
SCHEMBL10486068 0.78 SLC6A3 (0.45) SLC6A3CYP11B1CYP11B2CYP19A1PLAU
SCHEMBL264087 0.76 PTPN11 (0.51) SLC6A3CYP11B1CYP11B2CYP19A1PLAU
SCHEMBL69025 0.74 PTPN11 (0.68) CYP11B1CYP11B2CYP19A1PLAUPTPN11
SCHEMBL29365729 0.74 PTPN11 (0.68) CYP11B1CYP11B2CYP19A1PLAUPTPN11

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