SCHEMBL31448243

SCHEMBL31448243

Nc1cc(C(=O)OCc2ccccc2)c(Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
PKM P14618 1/20 0.50
POLB P06746 1/20 0.49
TDP1 Q9NUW8 4/20 0.49
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
DHODH Q02127 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.43
GCGR P47871 1/20 0.43

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
SCHEMBL8555147 1.00 ALDH1A1 (0.50) ALDH1A1L3MBTL1PKMPOLBTDP1
SCHEMBL4132618 0.84 ALDH1A1 (0.64) ALDH1A1L3MBTL1POLBTDP1SLC6A2
SCHEMBL1974587 0.83 ALDH1A1 (0.55) ALDH1A1L3MBTL1POLBTDP1SLC6A2
SCHEMBL29077227 0.82 ALDH1A1 (0.61) ALDH1A1L3MBTL1PKMKMT2ACYP1A2
SCHEMBL31448230 0.81 L3MBTL1 (0.47) ALDH1A1L3MBTL1PKMPOLBTDP1
SCHEMBL25606243 0.80 ALDH1A1 (0.55) ALDH1A1L3MBTL1POLBTDP1SLC6A2
SCHEMBL20401225 0.80 HTT (0.50) ALDH1A1L3MBTL1POLBTDP1SLC6A2
SCHEMBL8552346 0.80 PKM (0.47) ALDH1A1L3MBTL1PKMPOLBTDP1
SCHEMBL1354021 0.79 HTR4 (0.49) ALDH1A1L3MBTL1POLBTDP1SLC6A2
SCHEMBL24152237 0.79 ALDH1A1 (0.54) ALDH1A1L3MBTL1POLBTDP1SLC6A2

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-119613399-A Tetra-substituted benzoate compound containing alkoxy acetate substituent and application thereof 江西天宇化工有限公司 2025-03-14 CN disclosed