SCHEMBL9979249

SCHEMBL9979249

Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1NC(=O)CC(C(=O)Nc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)C(CC(=O)Nc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)C(=O)Nc1c(C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNQ2 O43526 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
NLRP3 Q96P20 1/20 0.32
BRD4 O60885 1/20 0.32
MAPT P10636 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
SCHEMBL9979163 0.89 TSHR (0.47) TSHRHPGDRAB9AL3MBTL1LMNA
SCHEMBL9979097 0.77 LMNA (0.57) TSHRHPGDRAB9AL3MBTL1LMNA
SCHEMBL7224192 0.76 ALDH1A1 (0.47) TSHRHPGDRAB9ALMNANR5A2
SCHEMBL9979041 0.73 MEN1 (0.46) HPGDL3MBTL1LMNAALDH1A1NR1H4
SCHEMBL9978844 0.73 HDAC3 (0.44) TSHRHPGDRAB9ALMNANR5A2
SCHEMBL2343577 0.70 TSHR (0.41) TSHRHPGDRAB9ANR5A2NR5A1
SCHEMBL9979291 0.69 NPC1 (0.49) HPGDRAB9ALMNANR1H4MAPT
SCHEMBL9978954 0.68 ALDH1A1 (0.59) HPGDL3MBTL1LMNAALDH1A1CYP1A2
SCHEMBL9979086 0.68 KCNJ6 (0.59) HPGDRAB9AALDH1A1CYP1A2CYP3A4
SCHEMBL7219655 0.67 ALDH1A1 (0.40) TSHRHPGDRAB9AL3MBTL1LMNA

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