SCHEMBL9979115

SCHEMBL9979115

Cc1cc(CC(C)C)ccc1NC(=O)c1cc(C(=O)Nc2ccc(CC(C)C)cc2C)cc(C(=O)Nc2ccc(CC(C)C)cc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.51
GPR174 Q9BXC1 1/20 0.50
ALDH1A1 P00352 2/20 0.46
MAPT P10636 5/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TAS1R2 Q8TE23 2/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL25518944 0.90 MAPT (0.59) NR1H4GPR174ALDH1A1MAPTCYP2C19
SCHEMBL3428272 0.84 TSHR (0.48) NR1H4GPR174ALDH1A1MAPTCYP2C9
SCHEMBL9979180 0.83 NR1H4 (0.55) NR1H4GPR174ALDH1A1MAPTCYP2C19
SCHEMBL9979029 0.80 NR1H4 (0.52) NR1H4GPR174ALDH1A1MAPTCYP2C19
SCHEMBL9979434 0.78 PLK1 (0.52) NR1H4GPR174MEN1KMT2A
SCHEMBL9979383 0.77 MEN1 (0.44) GPR174ALDH1A1MAPTCYP2C19CYP1A2
SCHEMBL9979122 0.77 MEN1 (0.44) GPR174ALDH1A1MAPTHTTPOLB
SCHEMBL11133861 0.77 ESR1 (0.51) NR1H4GPR174ALDH1A1MAPTCYP2C19
SCHEMBL11133931 0.77 ESR1 (0.48) NR1H4GPR174ALDH1A1MAPTCYP2C19
SCHEMBL17515711 0.77 KLK1 (0.44) NR1H4ALDH1A1MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492468-B2 Polypropylene resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-23 US disclosed
US-20110301268-A1 POLYPROPYLENE RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-08 US disclosed