SCHEMBL22897936

SCHEMBL22897936

Cc1ccc(COCC(Cl)Cl)c(NCCCl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ GAA P10253 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HTR1A P08908 2/20 0.30
▸ ADRA1D P25100 2/20 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
SCHEMBL28678268 0.80 SMN1; SMN2 (0.52) ALDH1A1MAPTGAATSHRMAPK1
SCHEMBL22897941 0.80 ALDH1A1 (0.34) ALDH1A1LMNATACR1TSHRHTT
SCHEMBL22898009 0.78 LMNA (0.33) ALDH1A1MAPTLMNAGAATSHR
SCHEMBL22897939 0.77 GUCY1A1 (0.32) ALDH1A1MAPTLMNA
SCHEMBL22897929 0.73 TACR1 (0.43) ALDH1A1TACR1TDP1THRBKDM4E
SCHEMBL22897843 0.69 ALDH1A1 (0.51) ALDH1A1MAPTGAATSHRMAPK1
SCHEMBL1949296 0.67 SMN1; SMN2 (0.56) ALDH1A1MAPTMAPK1ACHEHTT
SCHEMBL22897662 0.64 ALDH1A1 (0.56) ALDH1A1MAPTLMNAGAATSHR
SCHEMBL18898604 0.64 MAPT (0.39) ALDH1A1MAPTLMNAGAATSHR
SCHEMBL22897879 0.62 CYP1A2 (0.35) ALDH1A1MAPTLMNAGAAMAPK1

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-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — WO disclosed
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