SCHEMBL11474331

SCHEMBL11474331

COCc1ccc(C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.54
NR4A2 P43354 1/20 0.51
ATM Q13315 1/20 0.51
PARP10 Q53GL7 1/20 0.50
LMNA P02545 4/20 0.49
ALDH1A1 P00352 4/20 0.49
LTA4H P09960 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.47
S1PR1 P21453 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADAMTS4 O75173 1/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44

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
SCHEMBL7041079 0.90 ATM (0.54) ATMLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL1145424 0.84 IDO1 (0.58) MAOBALDH1A1
SCHEMBL11472200 0.83 ATM (0.66) ATMLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL11490185 0.81 HPGD (0.59) MAOBNR4A2ATMLMNAALDH1A1
SCHEMBL3406790 0.79 LMNA (0.65) LMNAALDH1A1LTA4HSMN1; SMN2GAA
SCHEMBL10709493 0.78 CES2 (0.52) ATMPARP10LMNAALDH1A1SMN1; SMN2
SCHEMBL8577031 0.78 LTA4H (0.57) LMNAALDH1A1LTA4HSMN1; SMN2S1PR1
SCHEMBL9018906 0.78 LTA4H (0.57) LMNAALDH1A1LTA4HSMN1; SMN2S1PR1
SCHEMBL238259 0.77 LTA4H (0.73) LMNAALDH1A1LTA4HSMN1; SMN2HPGD
SCHEMBL1736339 0.77 LTA4H (0.73) LMNAALDH1A1LTA4HSMN1; SMN2HPGD

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-4199420-A ETHYLENICALLY UNSATURATED MONOMERS STAUFFER CHEMICAL COMPANY (US) 1980-04-22 US disclosed