SCHEMBL29670864

SCHEMBL29670864

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(CO)O2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 2/20 0.39
PDE4A P27815 1/20 0.39
PDE3A Q14432 1/20 0.39
PPARG P37231 1/20 0.38
GSTO1 P78417 2/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL7843126 1.00 PSEN1 (0.44) PSEN1MEN1KMT2AMAPTTDP1
SCHEMBL11440558 1.00 PSEN1 (0.44) PSEN1MEN1KMT2AMAPTTDP1
SCHEMBL11440561 1.00 PSEN1 (0.44) PSEN1MEN1KMT2AMAPTTDP1
SCHEMBL7056637 0.91 PSEN1 (0.47) PSEN1MEN1KMT2AMAPTALOX5
SCHEMBL11446495 0.91 PSEN1 (0.47) PSEN1MEN1KMT2AMAPTALOX5
SCHEMBL11446496 0.91 PSEN1 (0.47) PSEN1MEN1KMT2AMAPTALOX5
Methane SCHEMBL11453288 0.90 PSEN1 (0.46) PSEN1MEN1KMT2AMAPTALOX5
Methane SCHEMBL11453290 0.90 PSEN1 (0.46) PSEN1MEN1KMT2AMAPTALOX5
SCHEMBL7839568 0.88 PSEN1 (0.42) PSEN1MEN1KMT2AMAPTTDP1
SCHEMBL10536937 0.87 PSEN1 (0.48) PSEN1MEN1KMT2AMAPTTDP1

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
CN-114746430-A Quinone-, hydroquinone-and naphthoquinone-analogues of vattinoquinone for the treatment of mitochondrial disorders 康德生物医疗有限公司 2022-07-12 CN disclosed