SCHEMBL8428784

SCHEMBL8428784

COc1ccc(NCc2cccs2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 5/20 0.45
LMNA P02545 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
PKM P14618 1/20 0.44
GAA P10253 3/20 0.44
HSD11B1 P28845 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
UTS2R Q9UKP6 1/20 0.41
MAPK1 P28482 2/20 0.41
ALOX15 P16050 2/20 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
SCHEMBL8424892 0.79 RARA (0.52) LMNATDP1PKMHDAC2HDAC11
SCHEMBL8694971 0.79 RARA (0.45) LMNATDP1GPR55PKMHDAC2
SCHEMBL8424848 0.79 RARA (0.40) ALDH1A1KDM4ELMNATDP1HSD11B1
SCHEMBL1157732 0.73 UTS2R (0.54) MAPTALDH1A1KDM4ELMNATDP1
SCHEMBL8618895 0.71 ERN1 (0.44) MAPTALDH1A1KDM4ELMNATDP1
SCHEMBL8428693 0.70 RARA (0.59) MAPTLMNATDP1HDAC2HDAC11
SCHEMBL641031 0.69 RARB (0.67) MAPTALDH1A1KDM4ELMNATDP1
SCHEMBL30285966 0.68 RARB (0.59) MAPTALDH1A1KDM4ELMNATDP1
SCHEMBL10014917 0.68 RARA (0.52) MAPTALDH1A1KDM4ELMNATDP1
SCHEMBL7689501 0.67 S1PR1 (0.51) ALDH1A1KDM4ELMNATDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776885-B1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CIRD GALDERMA (FR) 1999-10-27 EP claimed
EP-0776885-A1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-06-04 EP claimed
EP-0776885-B1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CIRD GALDERMA (FR) 1999-10-27 EP disclosed
EP-0776885-A1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-06-04 EP disclosed