SCHEMBL9564926

SCHEMBL9564926

CCCC(C)(C)N(c1ccccc1)C(C)(C)CCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
TP53 P04637 2/20 0.36
RIPK1 Q13546 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPT P10636 2/20 0.32
CYP2D6 P10635 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1128009 0.86 NPC1 (0.38) ALDH1A1KMT2ACYP2C19MEN1CYP3A4
SCHEMBL26494973 0.83 ALDH1A1 (0.37) ALDH1A1KMT2ACYP2C19MEN1CYP3A4
SCHEMBL2324035 0.82 KMT2A (0.39) ALDH1A1KMT2ACYP2C19MEN1CYP3A4
SCHEMBL10608371 0.79 NPC1 (0.36) ALDH1A1KMT2AHTTTDP1L3MBTL1
SCHEMBL28675789 0.79 NPC1 (0.34) ALDH1A1KMT2ACYP2C19MEN1CYP3A4
SCHEMBL1128007 0.76 MEN1 (0.38) ALDH1A1KMT2ACYP2C19MEN1CYP3A4
SCHEMBL11807782 0.74 CYP3A4 (0.52) ALDH1A1KMT2ACYP2C19MEN1CYP3A4
SCHEMBL3451643 0.73 KMT2A (0.39) ALDH1A1KMT2ACYP2C19MEN1CYP3A4
SCHEMBL6037525 0.72 KMT2A (0.41) ALDH1A1KMT2ACYP2C19MEN1CYP3A4
SCHEMBL26002570 0.71 MEN1 (0.38) ALDH1A1KMT2ACYP2C19MEN1CYP3A4

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