SCHEMBL9712581

SCHEMBL9712581

CCc1ccc(C(=O)c2ccc([C]=O)c(C)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SRD5A2 P31213 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GAA P10253 4/20 0.35
LMNA P02545 2/20 0.35
AGTR1 P30556 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
RXRA P19793 1/20 0.35

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
SCHEMBL9712508 0.78 GAA (0.49) PLK1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL9712357 0.74 HTT (0.43) PLK1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL9712502 0.74 PLK1 (0.41) PLK1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL9712330 0.74 PLK1 (0.41) PLK1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL11613100 0.73 PLK1 (0.47) PLK1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL2935942 0.72 ALDH1A1 (0.70) PLK1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL9712470 0.70 AKR1C3 (0.53) ALDH1A1SMN1; SMN2MAPTHTTSRD5A2
SCHEMBL9712448 0.70 MAPT (0.40) PLK1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL363400 0.69 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL9242999 0.69 ALDH1A1 (0.70) PLK1ALDH1A1SMN1; SMN2MAPTHTT

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-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed