SCHEMBL29953583

SCHEMBL29953583

Nc1cccc(C=O)c1OC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SRC P12931 1/20 0.33
ERN1 O75460 3/20 0.32
HDAC4 P56524 2/20 0.32
EP300 Q09472 2/20 0.32
MEF2D Q14814 2/20 0.32
POLB P06746 2/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
TLR6 Q9Y2C9 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 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
SCHEMBL29957323 0.79 CA1 (0.36) CA1CA2MEN1LMNATHRB
SCHEMBL29952660 0.78 PARP10 (0.40) CA1CA2
SCHEMBL2818914 0.77 SRC (0.55) CA1CA2LMNASRCERN1
SCHEMBL29952700 0.76 MCHR1 (0.39) MEN1LMNATHRBBLMKMT2A
SCHEMBL6013337 0.76 CA1 (0.44) CA1CA2MEN1LMNATHRB
SCHEMBL29954655 0.76 CA1 (0.39) CA1CA2MEN1LMNATHRB
SCHEMBL29956893 0.76 CA1 (0.39) CA1CA2TDP1SRCERN1
SCHEMBL29958451 0.75 MAP4K4 (0.32) POLB
SCHEMBL3579232 0.74 POLB (0.49) CA1CA2MEN1LMNAKMT2A
SCHEMBL9212970 0.74 CA1 (0.61) CA1CA2MEN1LMNATHRB

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed