SCHEMBL9712837

SCHEMBL9712837

CC(=O)c1ccc(C(=O)c2c(C)cccc2C(=O)Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAOB P27338 1/20 0.39
AKR1C3 P42330 1/20 0.38
RAB9A P51151 3/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 2/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36

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
Hydrochloric Acid SCHEMBL8165936 0.88 NOS3 (0.35) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL27321464 0.86 AKR1C3 (0.46) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL9712552 0.83 KMT2A (0.55) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL9712437 0.83 CNR1 (0.40) ALDH1A1KDM4ESMN1; SMN2RAB9AHTT
SCHEMBL9712475 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL9712383 0.81 TAS1R3 (0.35) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL9712598 0.81 CA1 (0.41) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9712495 0.80 GAA (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL31611275 0.80 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL301550 0.80 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2

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