SCHEMBL7100574

SCHEMBL7100574

CC(C)C(=O)c1ccc(Sc2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
TSHR P16473 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MAPK1 P28482 1/20 0.67
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 3/20 0.38
FKBP1A P62942 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
HPGD P15428 1/20 0.35
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
MLYCD O95822 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL10889886 0.91 ALDH1A1 (0.81) ALDH1A1TSHRSMN1; SMN2MAPK1HRH3
SCHEMBL10884364 0.91 ALDH1A1 (0.81) ALDH1A1TSHRSMN1; SMN2MAPK1HRH3
SCHEMBL18883201 0.85 ALDH1A1 (0.72) ALDH1A1TSHRSMN1; SMN2MAPK1HRH3
SCHEMBL1554443 0.85 ALDH1A1 (0.72) ALDH1A1TSHRSMN1; SMN2MAPK1HRH3
SCHEMBL1553588 0.85 ALDH1A1 (0.72) ALDH1A1TSHRSMN1; SMN2MAPK1HRH3
SCHEMBL9679529 0.85 SMN1; SMN2 (0.72) ALDH1A1TSHRSMN1; SMN2MAPK1HRH3
SCHEMBL1554157 0.85 ALDH1A1 (0.72) ALDH1A1TSHRSMN1; SMN2MAPK1HRH3
SCHEMBL8176787 0.84 ALDH1A1 (0.71) ALDH1A1TSHRSMN1; SMN2MAPK1HRH3
SCHEMBL10886640 0.82 ALDH1A1 (0.81) ALDH1A1TSHRSMN1; SMN2MAPK1HRH3
SCHEMBL18883164 0.82 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2MAPK1HRH3

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-1131286-B1 BIFUNCTIONAL PHOTOINITIATORS SUITABLE FOR PHOTOPOLYMERIZATION AND PHOTOPOLYMERIZABLE SYSTEMS CONTAINING THE SAME LAMBERTI SPA (IT) 2003-09-03 EP disclosed
US-6492514-B1 NEW COMPOUNDS CONTAINING IN THE SAME MOLECULE TWO FUNCTIONAL GROUPS, WHICH CAN GIVE RISE TO RADICALS BY A PHOTOCHEMICAL PROCESS. THE COMPOUNDS ARE SUITABLE AS POLYMERISATION PHOTOINITIATORS IN PHOTOPOLYMERISABLE FORMULATIONS CONTAINING LAMBERTI S.P.A. (IT) 2002-12-10 US disclosed
EP-1131286-A1 BIFUNCTIONAL PHOTOINITIATORS SUITABLE FOR PHOTOPOLYMERIZATION AND PHOTOPOLYMERIZABLE SYSTEMS CONTAINING THE SAME LAMBERTI S.p.A. (IT) 2001-09-12 EP disclosed
WO-2000031030-A1 BIFUNCTIONAL PHOTOINITIATORS SUITABLE FOR PHOTOPOLYMERIZATION AND PHOTOPOLYMERIZABLE SYSTEMS CONTAINING THE SAME LAMBERTI S.P.A. (IT) 2000-06-02 WO disclosed