SCHEMBL11468321

SCHEMBL11468321

CCOC(=O)Cc1ccoc1CC=C(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.38
PPARG P37231 1/20 0.37
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP4Z1 Q86W10 1/20 0.35
EGFR P00533 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL13241550 0.78 PKM (0.40) PKMKMT2ATDP1ALDH1A1CYP4Z1
SCHEMBL5210258 0.76 PKM (0.45) PKMKMT2ATDP1ALDH1A1EGFR
SCHEMBL3542930 0.76 ALOX5 (0.46) PKMKMT2ATDP1ALDH1A1EGFR
SCHEMBL3503787 0.70 PPARG (0.54) PKMPPARGKMT2ATDP1ALDH1A1
SCHEMBL13839102 0.70 ALDH1A1 (0.39) PKMKMT2AALDH1A1CYP4Z1SMN1; SMN2
SCHEMBL21132539 0.69 ALDH1A1 (0.50) PKMKMT2AALDH1A1HPGDKDM4E
SCHEMBL68340 0.66 PKM (0.60) PKMKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL31426029 0.66 MTNR1A (0.47) PKM
SCHEMBL30249949 0.65 PKM (0.55) PKMKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL1107140 0.65 PKM (0.55) PKMKMT2AALDH1A1SMN1; SMN2MEN1

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-4203907-A Process for preparing a furanic compound FIRMENICH, S.A. (CH) 1980-05-20 US disclosed