SCHEMBL20148932

SCHEMBL20148932

CCC(C)(C)c1ccc(S(=O)(=O)c2ccc(C(C)(CC)CC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HSD11B1 P28845 9/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL10181733 0.92 NPC1 (0.46) NPC1RAB9AATMLMNAMAPK1
SCHEMBL22459501 0.87 ALDH1A1 (0.52) NPC1RAB9AATMLMNAMAPK1
SCHEMBL13703528 0.87 ALDH1A1 (0.52) NPC1RAB9ALMNAMAPK1SMN1; SMN2
SCHEMBL26508516 0.85 GAA (0.59) NPC1RAB9AATMLMNAMAPK1
SCHEMBL10180029 0.85 HSD11B1 (0.56) NPC1RAB9AATMLMNAMAPK1
SCHEMBL10106139 0.85 GAA (0.59) LMNASMN1; SMN2HSD11B1MAPTGAA
SCHEMBL24637747 0.84 MAPT (0.59) NPC1RAB9ALMNAHSD11B1MAPT
SCHEMBL12820521 0.84 NPC1 (0.40) NPC1RAB9AATMLMNAMAPK1
SCHEMBL14411334 0.84 SHBG (0.53) LMNAHSD11B1GAAESR1ESR2
SCHEMBL20148956 0.82 HSD11B1 (0.41) ATMLMNAHSD11B1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134844-A1 Block Copolymer, Ion-Exchange Membrane And Method Of Preparing Block Copolymer KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2018-05-17 US disclosed