SCHEMBL4604660

SCHEMBL4604660

CCc1cc(NC(C)CC)ccc1NC(C)CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
CYP3A4 P08684 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
ALOX15 P16050 2/20 0.61
TSHR P16473 2/20 0.61
HIF1A Q16665 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TP53 P04637 1/20 0.61
HSP90AA1 P07900 1/20 0.61
THRB P10828 1/20 0.61
CASP1 P29466 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HCAR3 P49019 3/20 0.43
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
STAT3 P40763 1/20 0.35
LATS1 O95835 2/20 0.35

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
SCHEMBL5074351 0.81 CYP3A4 (0.61) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL18831962 0.78 CYP3A4 (0.61) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL49805 0.77 ALDH1A1 (1.00) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL11004395 0.77 SMN1; SMN2 (0.55) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL2958148 0.74 ALDH1A1 (0.54) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL2963582 0.74 ALDH1A1 (0.67) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL2969982 0.74 ALDH1A1 (0.55) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL1133304 0.73 ALDH1A1 (0.58) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL10394672 0.73 ALDH1A1 (0.65) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL30514616 0.73 ALDH1A1 (0.58) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301809-A1 USE OF A STABILIZER COMPOSITION FOR STABILIZING HALOGEN-FREE RECYCLED THERMOPLASTICS, STABILIZER COMPOSITION, MASTER BATCH OR CONCENTRATE, STABILIZED PLASTIC COMPOSITION, PROCESS FOR STABILIZING HALOGEN-FREE RECYCLED THERMOPLASTICS, AND USE OF COMPOSITIONS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2024-01-10 EP claimed
EP-1924644-A1 POLYURETHANE FLAME RETARDANT COMPOSITIONS Ciba Holding Inc. (CH) 2008-05-28 EP disclosed
WO-2007031450-A1 POLYURETHANE FLAME RETARDANT COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-03-22 WO disclosed