SCHEMBL31312409

SCHEMBL31312409

CCOC(=O)/C(C)=C/Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 1/20 0.56
GAA P10253 6/20 0.54
MAPT P10636 4/20 0.54
ALOX12 P18054 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ATM Q13315 2/20 0.54
DHODH Q02127 3/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
XBP1 P17861 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL31312502 0.90 GAA (0.51) NPSR1ALDH1A1HPGDGAAMAPT
SCHEMBL4742564 0.89 NPSR1 (0.72) NPSR1ALDH1A1HPGDGAAMAPT
SCHEMBL19339180 0.80 CYP1A2 (0.63) NPSR1ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL8964150 0.80 CYP1A2 (0.63) NPSR1ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL596433 0.79 ALDH1A1 (0.60) NPSR1ALDH1A1HPGDGAAMAPT
SCHEMBL10479716 0.79 GAA (0.64) NPSR1ALDH1A1HPGDGAAMAPT
SCHEMBL19957442 0.78 NPSR1 (0.51) NPSR1ALDH1A1HPGDGAAMAPT
SCHEMBL13377965 0.78 ALDH1A1 (0.54) NPSR1ALDH1A1HPGDGAAMAPT
SCHEMBL8054472 0.78 HPGD (0.47) NPSR1ALDH1A1HPGDGAAMAPT
SCHEMBL8054468 0.78 HPGD (0.47) NPSR1ALDH1A1HPGDGAAMAPT

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-2024263860-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-12-26 WO disclosed