SCHEMBL27726992

SCHEMBL27726992

CC(C)(C)c1ccc(I)cc1.CC(C)c1cc(C(C)C)c(S(=O)(=O)O)c(C(C)C)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
HTT P42858 2/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 2/20 0.30
ALDH1A1 P00352 2/20 0.30
RAB9A P51151 2/20 0.30
MEN1 O00255 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
GLA P06280 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
LMNA P02545 1/20 0.30
NFKB1 P19838 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
SCHEMBL5388305 0.84 FABP3 (0.49) FABP3FABP4FABP5HPGDALDH1A1
SCHEMBL178363 0.84 FABP3 (0.49) FABP3FABP4FABP5HPGDALDH1A1
SCHEMBL5376952 0.83 FABP3 (0.47) FABP3FABP4FABP5HPGDALDH1A1
SCHEMBL2955944 0.78 NR1I2 (0.32) MEN1MAPTKMT2ASMN1; SMN2NR1I2
SCHEMBL2955947 0.76 NR1I2 (0.33) MEN1MAPTKMT2ASMN1; SMN2NR1I2
Silver SCHEMBL5376950 0.71 FABP3 (0.34) FABP3FABP4FABP5HPGDALDH1A1
SCHEMBL27583174 0.71 FABP3 (0.38) FABP3FABP4FABP5HPGDALDH1A1
SCHEMBL27598206 0.69 HSD11B1 (0.52) HTTHPGDNPC1ALDH1A1RAB9A
SCHEMBL14085363 0.69 FABP3 (0.46) FABP3FABP4FABP5HTTHPGD
SCHEMBL9004701 0.68 PDK1 (0.37) HPGDNPC1ALDH1A1RAB9AMEN1

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
CN-101334588-A Chemically amplified positive resist composition SUMITOMO CHEMICAL CO (JP) 2008-12-31 CN disclosed