SCHEMBL25079170

SCHEMBL25079170

CC(C)(C)OC(=O)NCc1ccc(COc2cccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ FAAH O00519 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.41
▸ SPHK1 Q9NYA1 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ PSMB1 P20618 5/20 0.40
▸ PSMB9 P28065 4/20 0.40
▸ PSMB5 P28074 4/20 0.40
▸ PSMB8 P28062 3/20 0.40
▸ PSMB10 P40306 3/20 0.40
▸ PSMB2 P49721 3/20 0.40

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
SCHEMBL25079220 0.90 HDAC1 (0.52) HDAC1MEN1KMT2APOLBGPR55
SCHEMBL30257492 0.84 PTPN1 (0.43) POLBMAPTNPSR1
SCHEMBL2566299 0.84 HDAC1 (0.58) HDAC1MEN1KMT2ASPHK2SPHK1
SCHEMBL26641260 0.83 FFAR4 (0.39) HDAC1
SCHEMBL31248947 0.82 HDAC1 (0.45) HDAC1MEN1KMT2APOLBGPR55
SCHEMBL31248643 0.82 HDAC1 (0.43) HDAC1MEN1KMT2APOLBGPR55
SCHEMBL25821509 0.82 FFAR4 (0.43) HDAC1FAAH
SCHEMBL31248684 0.79 MEN1 (0.42) HDAC1MEN1KMT2APOLBGPR55
SCHEMBL17136480 0.78 HDAC1 (0.65) HDAC1MEN1KMT2ANTSR1MAPT
SCHEMBL31467422 0.78 CYP2C9 (0.42) MEN1KMT2A

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-2023023531-A1 ESTROGEN RECEPTOR DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-02-23 — — WO disclosed
Send feedback