SCHEMBL20630801

SCHEMBL20630801

CC(C)(C)C(=O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.59
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
PDPK1 O15530 1/20 0.48
ESR1 P03372 3/20 0.48
ESR2 Q92731 2/20 0.48
ELANE P08246 1/20 0.47
PGR P06401 1/20 0.46
AR P10275 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44

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
SCHEMBL759623 0.93 ESR1 (0.52) HSD17B1LMNAMAPTESR1ESR2
SCHEMBL15745797 0.91 PGR (0.51) HSD17B1MAPTMEN1RAB9AKMT2A
SCHEMBL12392688 0.83 HSD17B1 (0.43) HSD17B1LMNAMAPTMEN1RAB9A
SCHEMBL10031827 0.83 PGR (0.47) LMNAELANEPGRARMAPK1
SCHEMBL15746996 0.83 HSD17B1 (0.59) HSD17B1LMNAMAPTRAB9AKMT2A
SCHEMBL13246736 0.83 CA2 (0.52) LMNAMAPTMEN1RAB9AKMT2A
SCHEMBL13246765 0.83 SMN1; SMN2 (0.59) LMNAMAPTMEN1RAB9AKMT2A
SCHEMBL8237871 0.83 SMN1; SMN2 (0.59) LMNAMAPTMEN1RAB9AKMT2A
SCHEMBL13246752 0.81 CES2 (0.48) RAB9AELANEPGRARHPGD
SCHEMBL26486906 0.79 PGR (0.44) HSD17B1MAPTMEN1RAB9AKMT2A

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 3 patents. 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
WO-2019008537-A9 MEDICAL COMPOUNDS VERA SALUS RICERCA S.R.L. (IT) 2020-02-20 WO disclosed
WO-2019008537-A1 MEDICAL COMPOUNDS VERA SALUS RICERCA S.R.L. (IT) 2019-01-10 WO disclosed