SCHEMBL9564928

SCHEMBL9564928

CCN(CC)c1ccccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 1/20 0.38
RARA P10276 6/20 0.33
RARB P10826 6/20 0.33
RARG P13631 6/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
AR P10275 1/20 0.33
CNR2 P34972 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33

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
SCHEMBL9821084 0.81 ALDH1A1 (0.44) ALDH1A1TSHRTDP1ARKDM4E
SCHEMBL13439630 0.79 ALDH1A1 (0.39) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL31718395 0.78 TSHR (0.46) ALDH1A1TSHRTDP1ARCNR2
SCHEMBL6299189 0.78 TSHR (0.46) ALDH1A1TSHRTDP1ARCNR2
SCHEMBL14159025 0.76 ALDH1A1 (0.36) ALDH1A1TSHRTDP1CA2AR
SCHEMBL12774275 0.76 CA2 (0.34) CA2GABRA1GABRB2
SCHEMBL27669800 0.75 CRHBP (0.46) ALDH1A1TSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL29987688 0.75 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL1201242 0.75 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL26002434 0.75 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535828-A1 Photostereolithographic process ZENECA LIMITED (GB) 1993-04-07 EP disclosed
US-5091033-A ADHESIVE FOR CERAMICS AND PROCESSES FOR THE BONDING OF CERAMICS USING SAME MITSUI SEKIYU KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-02-25 US disclosed
US-5006340-A Methacrylate monomer, polymerization initiator, bactericide MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed
US-4966766-A ADMINISTERING TO A TOOTH OR GUM A MIXTURE OF AN ACRYLATE MONOMER, A POLYMERIZATION CATALYST AND A BACTERICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-10-30 US disclosed
US-4925660-A ACRYLATE MONOMER, POLYMERIZATION INITIATOR, BACTERICIDE; PHOTOPOLYMERIZATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-05-15 US disclosed
EP-0223245-A2 Curable compositions for dental drugs having sustained release property MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-05-27 EP disclosed