SCHEMBL7753547

SCHEMBL7753547

CC(C)(C)c1cc(CCC(N)=O)cc(C(C)(C)C)c1O.CCCCCCc1c(CCC(N)=O)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.37
ICMT O60725 1/20 0.35
F2R P25116 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 2/20 0.33
HSPA5 P11021 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL11366464 0.84 NPSR1 (0.39) GAAKMT2AF2RALDH1A1TSHR
SCHEMBL251685 0.84 NPSR1 (0.39) GAAKMT2AF2RALDH1A1TSHR
SCHEMBL817511 0.84 NPSR1 (0.39) GAAKMT2AF2RALDH1A1TSHR
SCHEMBL31169458 0.81 HSPA5 (0.40) KMT2AMEN1F2RALDH1A1HTT
SCHEMBL6049914 0.81 TDP1 (0.38) GAAKMT2AF2RALDH1A1HTT
SCHEMBL27151260 0.79 ALDH1A1 (0.42) GAAKMT2AMEN1ALDH1A1
SCHEMBL30763877 0.79 NPSR1 (0.42) GAAKMT2AALDH1A1SMN1; SMN2PTGS2
SCHEMBL331015 0.79 NPSR1 (0.42) GAAKMT2AALDH1A1SMN1; SMN2PTGS2
SCHEMBL299811 0.78 GAA (0.69) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL6659431 0.78 F2R (0.36) GAAKMT2AF2RLMNAHSPA5

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
WO-2001048057-A1 MULTIFUNCTIONAL THERMO-OXIDATIVE STABILISER DSM N.V. (NL) 2001-07-05 WO disclosed