SCHEMBL24497178

SCHEMBL24497178

CC(=O)c1ccc(C(=O)C(C)C)c(C(=O)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
DBH P09172 1/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
PKM P14618 1/20 0.43
PRKCI P41743 1/20 0.42
S100A4 P26447 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
AKR1C3 P42330 6/20 0.41
AKR1C2 P52895 6/20 0.41
CYP2A6 P11509 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C1 Q04828 1/20 0.40
HTT P42858 1/20 0.39
CREBBP Q92793 1/20 0.39
POLB P06746 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
SCHEMBL22548736 0.94 KDM4E (0.44) KDM4EDBHGAARECQLPKM
SCHEMBL21729726 0.94 KDM4E (0.44) KDM4EDBHGAARECQLPKM
SCHEMBL12377745 0.91 AKR1C3 (0.49) KDM4EDBHGAARECQLAKR1C3
SCHEMBL12377744 0.91 AKR1C3 (0.49) KDM4EAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL21729769 0.88 KDM4E (0.59) KDM4EDBHGAARECQLNPC1
SCHEMBL22548887 0.86 GAA (0.47) KDM4EDBHGAARECQLNPC1
SCHEMBL20631335 0.85 GAA (0.41) KDM4EDBHGAARECQLPKM
SCHEMBL20630946 0.83 RECQL (0.42) KDM4EDBHGAARECQLPKM
SCHEMBL22548962 0.79 KDM4E (0.39) KDM4EDBHGAARECQLNPC1
SCHEMBL12377747 0.78 ACE2 (0.51) KDM4EDBHGAARECQLMAPT

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-2022118186-A1 SENOTHERAPEUTIC COMPOUND BIONEXA S.R.L. (IT) 2022-06-09 WO disclosed