SCHEMBL3071644

SCHEMBL3071644

CC(C)(CC[N+](=O)[O-])c1cc(C(N)=O)cc(C(C)(C)CC[N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 3/20 0.35
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 2/20 0.31
MAPT P10636 1/20 0.31
DHODH Q02127 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
HSD11B1 P28845 1/20 0.30
MEN1 O00255 1/20 0.30
GALR3 O60755 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL3077509 0.84 SMN1; SMN2 (0.44) SMN1; SMN2CYP3A4TSHRPARP1ALDH1A1
SCHEMBL28263886 0.73 SMN1; SMN2 (0.60) SMN1; SMN2CYP3A4TSHRALDH1A1LMNA
SCHEMBL47585 0.69 GABRA1 (0.48) SMN1; SMN2CYP3A4GAAMAPTDHODH
SCHEMBL17936197 0.68 MEN1 (0.39) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL8086672 0.65 SMN1; SMN2 (0.44) SMN1; SMN2CYP3A4TSHRPARP1ALDH1A1
SCHEMBL23057944 0.64 PARP1 (0.47) PARP1ALDH1A1MAPTKMT2A
SCHEMBL11222215 0.64 SMN1; SMN2 (0.52) SMN1; SMN2CYP3A4TSHRPARP1ALDH1A1
SCHEMBL27972883 0.62 DHODH (0.35) SMN1; SMN2CYP3A4TSHRPARP1GAA
SCHEMBL16380759 0.62 CES2 (0.55) LMNAGAAMAPTDHODH
SCHEMBL23224106 0.62 CES2 (0.55) LMNAGAAMAPTDHODHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592738-B1 RESIN COMPOSITIONS CIBA HOLDING INC (CH) 2020-07-29 EP disclosed
US-7790793-B2 Amide nucleating agent compositions CIBA SPECIALTY CHEM. CORP. (US) 2010-09-07 US disclosed
US-20070149663-A1 Resin compositions CIBA SPECIALTY CHEMICALS CORP. 2007-06-28 US disclosed
EP-1592738-A2 RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2005-11-09 EP disclosed
WO-2004072168-A2 RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-26 WO disclosed