SCHEMBL732498

SCHEMBL732498

CC(C)(C)/C(=C\c1ccc(Cl)cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.39
PTK2 Q05397 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
STAT1 P42224 1/20 0.34
JAK2 O60674 1/20 0.34
GAA P10253 1/20 0.34
TRPA1 O75762 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL732499 1.00 NFE2L2 (0.39) NFE2L2PTK2RAB9ANPC1L3MBTL1
SCHEMBL1879690 0.80 EGFR (0.34) L3MBTL1SMN1; SMN2
SCHEMBL1879689 0.80 EGFR (0.34) L3MBTL1SMN1; SMN2
SCHEMBL27640623 0.79 PTK2 (0.49) NFE2L2PTK2RAB9ANPC1L3MBTL1
SCHEMBL1885751 0.76
SCHEMBL23722448 0.70 PADI4 (0.32) RAB9ANPC1SMN1; SMN2
SCHEMBL1219449 0.70 GABRA1 (0.47) RAB9ANPC1L3MBTL1TDP1SMN1; SMN2
SCHEMBL1124256 0.69 NFE2L2 (0.49) NFE2L2PTK2RAB9ANPC1L3MBTL1
SCHEMBL753041 0.69 NFE2L2 (0.49) NFE2L2PTK2RAB9ANPC1L3MBTL1
SCHEMBL14948653 0.69 RAB9A (0.37) RAB9ANPC1L3MBTL1SMN1; SMN2GAA

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-8138188-B2 Melanocortin type 4 receptor agonist piperidinoylpyrrolidines PFIZER INC. (US) 2012-03-20 US disclosed