SCHEMBL7801279

SCHEMBL7801279

COc1ccc(C(N[C@H](C)c2cc(F)cc(F)c2)c2ccc(F)c(Nc3c(OC(=O)C(F)(F)F)c(=O)c3=O)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CNR1 P21554 1/20 0.32
HSD17B2 P37059 1/20 0.31
POLB P06746 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CXCR2 P25025 2/20 0.31
KLKB1 P03952 1/20 0.31
SLC6A9 P48067 1/20 0.30
SLC6A5 Q9Y345 1/20 0.30
TP53 P04637 1/20 0.30
APP P05067 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPT P10636 1/20 0.30
HTRA1 Q92743 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
SCHEMBL7780331 0.86 ALDH1A1 (0.32) GAAALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL7789202 0.85 ALDH1A1 (0.36) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL7785294 0.78 ALDH1A1 (0.31) GAAALDH1A1LMNAAPPCYP2C19
SCHEMBL7787698 0.75 ALDH1A1 (0.31) GAAALDH1A1LMNA
SCHEMBL7780375 0.75 KMT2A (0.42) GAAALDH1A1LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL7801938 0.75 CXCR2 (0.35) GAAALDH1A1LMNAKMT2AHSD17B2
SCHEMBL7795456 0.74 CXCR2 (0.35) GAAALDH1A1LMNAPOLBCXCR2
SCHEMBL7787853 0.73 KMT2A (0.38) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL7784926 0.73 KMT2A (0.38) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL27530390 0.73 KMT2A (0.36) GAAALDH1A1LMNAKMT2AMEN1

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
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed