SCHEMBL28678134

SCHEMBL28678134

Cc1ccccc1OC(=O)c1ccc(C(=O)Oc2ccccc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MAPT P10636 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SLC6A3 Q01959 1/20 0.53
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
MEN1 O00255 1/20 0.51
ATM Q13315 1/20 0.50
PRSS1 P07477 1/20 0.50
ACR P10323 1/20 0.50
SERPINE1 P05121 1/20 0.48

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
SCHEMBL13554415 0.94 ESR1 (0.59) POLBMAPTKMT2ASMN1; SMN2TDP1
SCHEMBL1284160 0.94 KMT2A (0.63) POLBMAPTKMT2ASMN1; SMN2SLC6A3
SCHEMBL1129956 0.93 RXRA (0.51) POLBMAPTKMT2ASMN1; SMN2SLC6A3
SCHEMBL28678136 0.93 RXRA (0.64) POLBMAPTKMT2ASMN1; SMN2SLC6A3
SCHEMBL2831997 0.93 KMT2A (0.54) POLBMAPTKMT2ASMN1; SMN2SLC6A3
SCHEMBL11584715 0.91 MAPT (0.58) POLBMAPTKMT2ASMN1; SMN2SLC6A3
SCHEMBL8387767 0.91 KMT2A (0.59) POLBMAPTKMT2ASMN1; SMN2SLC6A3
Trimethylammonium SCHEMBL6221456 0.89 KMT2A (0.58) POLBMAPTKMT2ASMN1; SMN2SLC6A3
SCHEMBL11583543 0.88 ELANE (0.57) POLBMAPTKMT2ASMN1; SMN2SLC6A3
SCHEMBL16429681 0.87 L3MBTL1 (0.62) MAPTKMT2ASMN1; SMN2TDP1L3MBTL1

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
CN-114072454-A Metal-organic structure having terephthalic acid-based ligand 学校法人立教学院 2022-02-18 CN disclosed