SCHEMBL29957516

SCHEMBL29957516

O=Cc1cc(-c2ccc(C(=O)O)cc2)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
PTGER1 P34995 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.54
ERN1 O75460 3/20 0.54
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
RXRA P19793 4/20 0.52
RXRB P28702 3/20 0.52
RXRG P48443 2/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
HPGD P15428 2/20 0.50

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
SCHEMBL15330209 1.00 MAP4K4 (0.57) MAP4K4KDM4EALDH1A1MAPTKMT2A
SCHEMBL15331027 0.90 MRGPRX4 (0.61) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL9082648 0.89 NR4A2 (0.54) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL16585825 0.89 MAPT (0.60) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL16321220 0.85 MAP4K4 (0.67) MAP4K4MAPTKMT2AMEN1PTGER1
SCHEMBL930474 0.82 MRGPRX4 (0.55) KDM4EALDH1A1MAPTKMT2AMRGPRX4
SCHEMBL6341223 0.82 KMT2A (0.66) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL29953305 0.82 KMT2A (0.66) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL5749968 0.81 NR4A2 (0.54) MAP4K4KMT2AMEN1PTGER1MRGPRX4
SCHEMBL2066161 0.81 PTP4A3 (0.62) KDM4EALDH1A1MAPTKMT2AMEN1

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