SCHEMBL9687686

SCHEMBL9687686

O=C(O)C1C(Cl)C(Cl)C(Cl)C(Cl)C1(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9746598 0.70 ALDH1A1 (0.30) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL5953448 0.70 ALDH1A1 (0.48) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL8405901 0.69 LMNA (0.42)
SCHEMBL987513 0.66 LMNA (0.33)
SCHEMBL9337430 0.65 ALDH1A1 (0.44) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL9639825 0.64
SCHEMBL8018496 0.64
SCHEMBL8025152 0.64
SCHEMBL9639822 0.64
SCHEMBL8402346 0.59

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-0175709-B1 SUBSTANCE, COMPOSITION OF MATTER AND METHOD OF USING SAME ARIZONA BOARD OF REGENTS (US) 1992-07-22 EP disclosed