SCHEMBL12464280

SCHEMBL12464280

CCC(C)(C)c1ccc2cc(C(C)(CC)CC)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
CASP3 P42574 1/20 0.44
ATM Q13315 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HRH3 Q9Y5N1 7/20 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
SCHEMBL19010378 0.91 NPC1 (0.50) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL29445525 0.87 NPC1 (0.47) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL29445524 0.87 NPC1 (0.47) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15457978 0.87 NPC1 (0.47) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL19689000 0.85 MAPK1 (0.48) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9160258 0.83 NPC1 (0.53) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL16103701 0.82 MAPK1 (0.43) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL29472178 0.82 RAB9A (0.51) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2489704 0.82 RAB9A (0.51) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL10040417 0.80 ESR1 (0.45) MAPK1SMN1; SMN2NPC1RAB9ALMNA

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-7973088-B2 anionic block copolymers selecting from polyether sulfones, polyether ketones, polythioether ketones; use the verification of a distribution of the ionic segment in the surface region to measure proton conductivity; excellent proton conductivity in its thickness direction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-05 US disclosed
US-20080053820-A1 POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING THE SAME, AND PROTON CONDUCTIVITY EVALUATION METHOD FOR POLYMER ELECTROLYTE MEMBRANE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-06 US disclosed