SCHEMBL8813464

SCHEMBL8813464

Cc1cc(Br)ccc1C(=O)CC(=O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 3/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
GPR27 Q9NS67 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ABL1 P00519 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL16014081 0.88 HPGD (0.39) HPGDHTTPOLBMAPTALDH1A1
SCHEMBL8178949 0.82 L3MBTL1 (0.44) HPGDHTTMAPTLMNAMEN1
SCHEMBL8815743 0.79 LIPC (0.42) HPGDALDH1A1MEN1KMT2AABL1
SCHEMBL7577840 0.79 MAPK1 (0.37) HPGDHTTPOLBMAPTLMNA
SCHEMBL1922044 0.79 HSP90AB1 (0.47) HTTPOLBFLT1FLT4KDR
SCHEMBL8754605 0.78 ERCC5 (0.57) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL4575322 0.77 GSK3B (0.52) POLBMAPTKMT2A
SCHEMBL21530405 0.77 ALDH1A1 (0.36) HPGDHTTPOLBMAPTLMNA
SCHEMBL7550765 0.76 L3MBTL1 (0.36) POLBMAPTALDH1A1KMT2AMAPK1
SCHEMBL8754760 0.75 HSD17B10 (0.35) HPGDPOLBMAPTLMNAALDH1A1

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
WO-1997023491-A1 NEW HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-03 WO disclosed