SCHEMBL9712358

SCHEMBL9712358

CC(C)(C)c1cccc(C(=O)Cl)c1C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
AKR1C3 P42330 2/20 0.42
ATM Q13315 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
MYC P01106 1/20 0.39
HPGDS O60760 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL8713885 0.84 ALDH1A1 (0.52) ELANEAKR1C3ATMTDP1ALDH1A1
SCHEMBL7590892 0.82 ALDH1A1 (0.54) AKR1C3ATMTDP1ALDH1A1L3MBTL1
SCHEMBL10984177 0.81 ELANE (0.47) ELANEAKR1C3ATMTDP1ALDH1A1
SCHEMBL2319763 0.79 AKR1C3 (0.55) ELANEAKR1C3ATMTDP1ALDH1A1
SCHEMBL31031098 0.79 AKR1C3 (0.55) ELANEAKR1C3ATMTDP1ALDH1A1
SCHEMBL9066561 0.79 PDK1 (0.52) ELANEAKR1C3ATMTDP1ALDH1A1
SCHEMBL2154401 0.79 ALDH1A1 (0.48) ELANEATMTDP1ALDH1A1GAA
SCHEMBL9712456 0.78 GABRA1 (0.42) TDP1ALDH1A1MYCALOX15POLB
SCHEMBL27321464 0.78 AKR1C3 (0.46) AKR1C3ATMTDP1ALDH1A1L3MBTL1
SCHEMBL9622204 0.78 AKR1C3 (0.53) AKR1C3ATMTDP1ALDH1A1L3MBTL1

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