SCHEMBL18898604

SCHEMBL18898604

Cc1ccc(OC(F)(F)F)c(NCCCl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ LMNA P02545 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ GPR3 P46089 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ GSTO1 P78417 1/20 0.36
▸ PGK1 P00558 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GUCY1A1 Q02108 1/20 0.33
▸ GUCY1B1 Q02153 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL18579521 0.78 ALDH1A1 (0.56) MAPTLMNAGAATSHRMAPK1
SCHEMBL7736582 0.78 GAA (0.43) MAPTGAAHTT
SCHEMBL16887436 0.74 KIF11 (0.44) TSHRMAPK1ALDH1A1THRB
SCHEMBL9973781 0.71 ALDH1A1 (0.56) MAPTLMNAGAAMAPK1TDP1
SCHEMBL13523564 0.70 ACHE (0.48) MAPTMAPK1L3MBTL1ALDH1A1GPR3
SCHEMBL22897939 0.70 GUCY1A1 (0.32) MAPTLMNAALDH1A1GUCY1A1GUCY1B1
SCHEMBL1949296 0.70 SMN1; SMN2 (0.56) MAPTMAPK1ALDH1A1HTTACHE
SCHEMBL5023995 0.70 SLC1A5 (0.44) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL10801181 0.69 GPR3 (0.43) MAPTTSHRMAPK1TDP1L3MBTL1
SCHEMBL13523552 0.68 SYK (0.53) ALDH1A1GPR3ACHE

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-9661854-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-05-30 — — US disclosed
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