SCHEMBL29952390

SCHEMBL29952390

COc1cccc(C=O)c1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.64
TDP1 Q9NUW8 1/20 0.64
RXRA P19793 4/20 0.63
ALDH1A1 P00352 4/20 0.62
MEN1 O00255 3/20 0.57
KDM4E B2RXH2 3/20 0.56
POLB P06746 3/20 0.53
HPGD P15428 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXRB P28702 3/20 0.52
RXRG P48443 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ATM Q13315 1/20 0.51
BCHE P06276 1/20 0.51
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49

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
SCHEMBL1125006 0.86 KDM4E (0.60) KDM4EL3MBTL1NPC1RAB9ABCHE
SCHEMBL28129638 0.86 KDM4E (0.60) KDM4EL3MBTL1NPC1RAB9ABCHE
SCHEMBL23383976 0.82 RXRA (0.70) KMT2ATDP1RXRAALDH1A1MEN1
SCHEMBL2562705 0.81 KMT2A (0.59) KMT2ATDP1ALDH1A1MEN1POLB
SCHEMBL29953305 0.81 KMT2A (0.66) KMT2ARXRAALDH1A1MEN1KDM4E
SCHEMBL6341223 0.81 KMT2A (0.66) KMT2ARXRAALDH1A1MEN1KDM4E
SCHEMBL10900536 0.80 NPC1 (0.54) KMT2ATDP1KDM4ENPC1RAB9A
SCHEMBL696160 0.79 NPC1 (0.55) TDP1ALDH1A1HPGDL3MBTL1NPC1
SCHEMBL18102841 0.79 KMT2A (1.00) KMT2ATDP1ALDH1A1MEN1KDM4E
SCHEMBL8797996 0.78 KMT2A (0.48) KMT2ATDP1RXRAALDH1A1MEN1

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