SCHEMBL20076409

SCHEMBL20076409

Cc1ccc(-c2cc(C)ccc2C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
ELANE P08246 1/20 0.43
S1PR4 O95977 1/20 0.41
CA9 Q16790 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 2/20 0.39

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
SCHEMBL26968681 0.95 LMNA (0.54) LMNAGAAMAPTMAOAMAOB
SCHEMBL197716 0.89 ALDH1A1 (0.52) LMNAGAAMAPTMAOAMAOB
SCHEMBL3043421 0.89 TDP1 (0.52) LMNAGAAMAPTMAOAMAOB
SCHEMBL31547677 0.89 TDP1 (0.52) LMNAGAAMAPTMAOAMAOB
SCHEMBL7641234 0.84 ESR2 (0.57) LMNATDP1TP53S1PR4
SCHEMBL21021877 0.84 PLA2G7 (0.52) LMNAGAAMAPTTDP1ALDH1A1
SCHEMBL13652436 0.84 ACHE (0.42) LMNAGAAMAPTTDP1ALDH1A1
SCHEMBL29038580 0.83 MAPT (0.48) LMNAGAAMAPTMAOAMAOB
SCHEMBL29590360 0.82 ELANE (0.52) LMNAGAAMAPTTDP1TP53
SCHEMBL11729295 0.82 ELANE (0.52) LMNAGAAMAPTTDP1TP53

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