SCHEMBL29280962

SCHEMBL29280962

CCCOC(=O)c1ccccc1OC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
SLC6A3 Q01959 1/20 0.65
ALDH1A1 P00352 6/20 0.65
TSHR P16473 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 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
SCHEMBL7621532 0.90 ALDH1A1 (0.65) LMNASLC6A3ALDH1A1TSHRTDP1
SCHEMBL28548553 0.90 TSHR (0.68) LMNASLC6A3ALDH1A1TSHRTDP1
SCHEMBL8840791 0.89 ALDH1A1 (0.68) LMNASLC6A3ALDH1A1TSHRTDP1
SCHEMBL2821623 0.89 ALDH1A1 (0.68) LMNASLC6A3ALDH1A1TSHRTDP1
SCHEMBL5706020 0.88 SLC6A3 (0.69) LMNASLC6A3ALDH1A1TSHRMAPT
SCHEMBL5155551 0.88 ALDH1A1 (0.69) LMNASLC6A3ALDH1A1TSHRTDP1
SCHEMBL1282581 0.86 ALDH1A1 (0.71) LMNAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL7621537 0.85 ESR1 (0.66) LMNASLC6A3ALDH1A1TSHRTDP1
SCHEMBL5155541 0.84 ALDH1A1 (0.69) LMNAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL4782034 0.84 ALDH1A1 (0.69) LMNAALDH1A1TSHRTDP1L3MBTL1

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-117836264-A Benzoic acid production from biomass 西恩斯科公司 2024-04-05 CN disclosed