SCHEMBL20076629

SCHEMBL20076629

C=C(c1cc(C)ccc1C)c1cc(C)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.41
ABCB1 P08183 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2D6 P10635 1/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
S1PR4 O95977 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MITF O75030 1/20 0.38
S1PR1 P21453 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.35
MAPK14 Q16539 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 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
SCHEMBL20076688 0.78 GABRA1 (0.41) CLCN2ABCB1MEN1KMT2ARAB9A
SCHEMBL16105803 0.73 NPSR1 (0.45) MEN1KMT2ACYP2D6NPSR1HTT
SCHEMBL21022065 0.73 RAB9A (0.41) ABCB1MEN1KMT2ARAB9AALDH1A1
SCHEMBL16954239 0.73 GABRA1 (0.43) CLCN2MEN1KMT2ARAB9AALDH1A1
SCHEMBL8154014 0.73 MEN1 (0.46) MEN1KMT2ACYP2D6ALDH1A1TSHR
SCHEMBL24080244 0.72 MEN1 (0.42) MEN1KMT2ACYP2D6ALDH1A1MAPT
SCHEMBL23715364 0.72 MEN1 (0.42) MEN1KMT2ACYP2D6ALDH1A1MAPT
SCHEMBL6941354 0.72 TP53 (0.50) CLCN2ABCB1MEN1KMT2ARAB9A
SCHEMBL13050489 0.72 CLCN2 (0.38) CLCN2ABCB1MEN1KMT2ACYP2D6
SCHEMBL11865534 0.71 MEN1 (0.44) MEN1KMT2ACYP2D6ALDH1A1MAPT

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed