SCHEMBL9767832

SCHEMBL9767832

[CH2]C=CC(CCC)(c1ccccc1)c1ccc(CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.45
TP53 P04637 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 2/20 0.34
KDM1A O60341 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
KCNN4 O15554 1/20 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
SCHEMBL9767862 0.90 KCNN4 (0.35) KIF11MEN1KMT2AALDH1A1CYP1A2
SCHEMBL9767970 0.76 KCNN4 (0.38) ATMALDH1A1KCNN4
SCHEMBL9767929 0.71 ALDH1A1 (0.47) KIF11KDM1APPARGPPARAALDH1A1
SCHEMBL10635256 0.68 TP53 (0.56) KIF11TP53MEN1KMT2AESR1
SCHEMBL6546659 0.68 TP53 (0.56) KIF11TP53MEN1KMT2AESR1
SCHEMBL23234257 0.67 KCNN4 (0.36) KIF11MEN1KMT2AESR1ESR2
SCHEMBL11862313 0.66 TP53 (0.54) KIF11TP53MEN1KMT2AATM
SCHEMBL17753725 0.66 TP53 (0.54) KIF11TP53MEN1KMT2AATM
SCHEMBL9204337 0.65 TP53 (0.52) KIF11TP53MEN1KMT2APPARG
SCHEMBL10140077 0.65 MEN1 (0.56) KIF11TP53MEN1KMT2AESR1

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-5022914-A Pre- and post-emergence; broad leaf plants; rice BASF AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed