SCHEMBL8780610

SCHEMBL8780610

CCN(CC)c1ccc(C=C2CC(=O)CC(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
MAOB P27338 2/20 0.53
ALDH3A1 P30838 1/20 0.53
ALDH1A3 P47895 1/20 0.53
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
GSK3B P49841 1/20 0.50
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MAPK1 P28482 3/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NTSR1 P30989 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RECQL P46063 1/20 0.48
CYP1A2 P05177 1/20 0.47

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
SCHEMBL51253 0.87 CYP1A2 (0.58) ALDH1A1MAOBALDH3A1ALDH1A3MEN1
SCHEMBL29099922 0.87 CYP1A2 (0.58) ALDH1A1MAOBALDH3A1ALDH1A3MEN1
SCHEMBL51252 0.87 CYP1A2 (0.58) ALDH1A1MAOBALDH3A1ALDH1A3MEN1
SCHEMBL2847156 0.87 CYP1A2 (0.58) ALDH1A1MAOBALDH3A1ALDH1A3MEN1
SCHEMBL25411455 0.84 ALDH1A1 (0.50) ALDH1A1MAOBALDH3A1ALDH1A3MEN1
SCHEMBL352162 0.84 CYP1A2 (0.69) ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A
SCHEMBL352161 0.84 CYP1A2 (0.69) ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A
SCHEMBL9633959 0.81 CYP1A2 (0.70) ALDH1A1MAOBMEN1KMT2AMAPT
SCHEMBL2203151 0.81 ACHE (0.57) ALDH1A1MAOBALDH3A1ALDH1A3MEN1
SCHEMBL2775363 0.81 MAPT (0.56) ALDH1A1MAOBALDH3A1ALDH1A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551697-B1 Photoinitiator system and photopolymerizable composition using the same HITACHI CHEMICAL CO LTD (JP) 1997-05-14 EP disclosed
EP-0551697-A1 Photoinitiator system and photopolymerizable composition using the same HITACHI CHEMICAL CO., LTD. (JP) 1993-07-21 EP disclosed
EP-0295044-B1 PHOTOINITIATOR AND PHOTOPOLYMERIZABLE COMPOSITION USING THE SAME Hitachi Chemical Co., Ltd. (JP) 1992-04-22 EP disclosed
US-4987057-A HIGH SENSITIVITY TO VISIBLE LIGHT RAYS HITACHI CHEMICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0295044-A2 Photoinitiator and photopolymerizable composition using the same Hitachi Chemical Co., Ltd. (JP) 1988-12-14 EP disclosed