SCHEMBL21022089

SCHEMBL21022089

Cc1c(Cl)cc(C2C(C(=O)O)C2(C)Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.37
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 3/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL18143931 0.85 MEN1 (0.40) SLC9A1ALDH1A1TP53ALOX15MAPK1
SCHEMBL18143928 0.85 MEN1 (0.40) SLC9A1ALDH1A1TP53ALOX15MAPK1
SCHEMBL18143925 0.85 MEN1 (0.40) SLC9A1ALDH1A1TP53ALOX15MAPK1
SCHEMBL21020523 0.73
SCHEMBL23465652 0.71 HTT (0.39) SLC9A1ALDH1A1TP53ALOX15MAPK1
SCHEMBL21019515 0.71 HTT (0.39) SLC9A1ALDH1A1TP53ALOX15MAPK1
SCHEMBL18144014 0.71 HTT (0.39) SLC9A1ALDH1A1TP53ALOX15MAPK1
SCHEMBL18144020 0.71 HTT (0.39) SLC9A1ALDH1A1TP53ALOX15MAPK1
SCHEMBL18144016 0.71 HTT (0.39) SLC9A1ALDH1A1TP53ALOX15MAPK1
SCHEMBL20076754 0.70 SLC9A1 (0.36) SLC9A1ALDH1A1HTTMEN1RECQL

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-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed