SCHEMBL11259004

SCHEMBL11259004

CCCn1c(-c2ccc([N+](=O)[O-])cc2)cc2ccc(OC(C)(C)C(=O)OCC)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.46
PPARA Q07869 3/20 0.45
PPARG P37231 2/20 0.45
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL11257688 0.83 PPARA (0.42) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL11256556 0.81 FBP1 (0.45) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL11250419 0.79 GRIK1 (0.49) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL3824943 0.77 FBP1 (0.66) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL11251055 0.77 ESR1 (0.44) ALDH1A1RAB9AKMT2ACA9
SCHEMBL11259021 0.76 PPARA (0.42) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL11257361 0.72 MTNR1A (0.45) PPARAPPARGCYP1A2ALDH1A1SMN1; SMN2
SCHEMBL654010 0.71 FBP1 (0.65) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL1972122 0.71 BCL9 (0.51) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL2884727 0.69 NR1H2 (0.54) SMN1; SMN2KMT2ATP53

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-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed