SCHEMBL21020577

SCHEMBL21020577

C=C(c1cc(C)ccc1O)N(C)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.46
ALOX15 P16050 3/20 0.42
TRPA1 O75762 1/20 0.41
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MCL1 Q07820 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21021337 0.84 MEN1 (0.43) ALOX15TP53TDP1ALDH1A1TSHR
SCHEMBL21021316 0.81 ALDH1A1 (0.36) ALOX15ALDH1A1TSHRMEN1KMT2A
SCHEMBL21021872 0.72 MEN1 (0.46) TP53TSHRMEN1KMT2ALMNA
SCHEMBL30636719 0.71 CSNK2A1 (0.57) CSNK2A1ALOX15TRPA1TP53TDP1
SCHEMBL14826759 0.71 CSNK2A1 (0.57) CSNK2A1ALOX15TRPA1TP53TDP1
SCHEMBL13953856 0.70 CSNK2A1 (0.55) CSNK2A1ALOX15TRPA1TP53TDP1
SCHEMBL23864606 0.69 TP53 (0.34) ALOX15TP53TDP1ALDH1A1MEN1
SCHEMBL21022102 0.69 ALDH1A1 (0.34) ALDH1A1TSHRMEN1KMT2ARAB9A
SCHEMBL14174821 0.69 ALDH1A1 (0.50) ALOX15TDP1ALDH1A1TSHRHSD17B10
SCHEMBL12261016 0.67 CSNK2A1 (0.62) CSNK2A1ALOX15TRPA1TP53TDP1

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