SCHEMBL23315729

SCHEMBL23315729

CCCCOCOc1cccc(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 14/20 0.69
WNT3A P56704 10/20 0.65
HPGD P15428 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL652411 0.88 CTNNB1 (0.84) CTNNB1WNT3AHPGDNPC1RAB9A
SCHEMBL20079916 0.87 CTNNB1 (0.77) CTNNB1WNT3AHPGDNPC1RAB9A
SCHEMBL15581681 0.84 CTNNB1 (0.67) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL654664 0.81 CTNNB1 (1.00) CTNNB1WNT3AHPGDNPC1PKM
SCHEMBL20079919 0.80 CTNNB1 (0.91) CTNNB1WNT3AHPGDNPC1RAB9A
SCHEMBL15969450 0.80 CTNNB1 (1.00) CTNNB1WNT3AHPGDNPC1RAB9A
SCHEMBL30440765 0.80 CTNNB1 (1.00) CTNNB1WNT3AHPGDNPC1RAB9A
SCHEMBL23315699 0.79 CTNNB1 (0.56) CTNNB1HPGDNPC1RAB9ATSHR
SCHEMBL27611333 0.77 HPGD (0.82) CTNNB1WNT3AHPGDNPC1RAB9A
SCHEMBL19560286 0.76 CTNNB1 (0.63) CTNNB1WNT3AHPGDNPC1RAB9A

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
EP-3311666-B1 DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS SAMUMED LLC (US) 2021-05-05 EP disclosed