SCHEMBL16180992

SCHEMBL16180992

CCc1ccc(Oc2cnc3cc(C)ccc3n2)cc1C1=C(O)CC2(CCOCC2)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32

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
SCHEMBL10195527 0.91 MEN1 (0.33) MEN1HTTKMT2AATMSCN9A
SCHEMBL10195400 0.91 CYP1A2 (0.37) ALDH1A1HPGDHTTSCN9ASCN10A
SCHEMBL10195520 0.91 HTT (0.38) MEN1NPC1ALDH1A1HPGDHTT
SCHEMBL10195518 0.88 SCN9A (0.32) ALDH1A1HPGDSCN9ASCN10A
SCHEMBL16180988 0.87 ALDH1A1 (0.37) MEN1NPC1ALDH1A1HPGDHTT
SCHEMBL16351649 0.83 LPAR1 (0.35) ALDH1A1HPGD
SCHEMBL10195324 0.81 SCN9A (0.35) SCN9ASCN10A
SCHEMBL16351650 0.80 MAPK14 (0.32)
SCHEMBL16351657 0.80 HTR2A (0.33)
SCHEMBL10195460 0.79 CYP11B2 (0.33)

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-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed