SCHEMBL9869858

SCHEMBL9869858

CC1C(F)(F)C(F)(Cl)C1(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
STAT6 P42226 1/20 0.34
HIF1A Q16665 1/20 0.34
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9640786 0.74 MAPK1 (0.41) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL9640788 0.74 MAPK1 (0.41) MAPK1TP53NFKB1CYP2C19THPO
Fluoride SCHEMBL10972490 0.72 MAPK1 (0.39) MAPK1TP53NFKB1CYP2C19THPO
Hydrochloric Acid SCHEMBL9639877 0.72 MAPK1 (0.39) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL1376057 0.68 MAPK1 (0.44) MAPK1TP53NFKB1CYP2C19THPO
Hydrochloric Acid SCHEMBL11238901 0.66 MAPK1 (0.42) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL1930203 0.64 MAPK1 (0.36) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL9314144 0.64 MAPK1 (0.41) MAPK1TP53NFKB1CYP2C19THPO
Bicarbonate SCHEMBL9628771 0.63 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL11009262 0.62 MAPK1 (0.35) MAPK1TP53NFKB1CYP2C19THPO

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-5021080-A Pre-and/or postemergence; selectivity BAYER AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed