SCHEMBL7523324

SCHEMBL7523324

O=Cc1cccc2c1OC=CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ERN1 O75460 4/20 0.38
ALDH1A1 P00352 2/20 0.35
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MTNR1A P48039 1/20 0.33
CYP2A6 P11509 1/20 0.33
NTSR1 P30989 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
TLR6 Q9Y2C9 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL28615706 0.76
SCHEMBL29706697 0.72 GSK3B (0.54) LMNAKMT2AMEN1THRBBLM
SCHEMBL161792 0.72 GSK3B (0.54) LMNAKMT2AMEN1THRBBLM
SCHEMBL1012582 0.72 KDM4E (0.61) LMNAKMT2AMEN1THRBBLM
SCHEMBL28208425 0.72 MEN1 (0.35) LMNAKMT2AMEN1THRBBLM
SCHEMBL15151084 0.71 AHR (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL728135 0.70 MTNR1A (0.34) KDM4EMTNR1A
SCHEMBL2557256 0.69 LMNA (0.37) LMNAKMT2AMEN1THRBBLM
SCHEMBL28510411 0.69 ERN1 (0.45) LMNAKMT2AMEN1THRBBLM
SCHEMBL1253612 0.69 KDM4E (0.53) LMNAKMT2AMEN1THRBBLM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-0873993-B1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-02-20 EP disclosed
US-5919814-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP disclosed