SCHEMBL30849591

SCHEMBL30849591

CC(=O)CCc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
LMNA P02545 6/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GAA P10253 3/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42

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
Benzylacetone SCHEMBL28223865 0.85 ALDH1A1 (0.64) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL8072061 0.85 ALDH1A1 (0.57) ALDH1A1CA1CA2LMNANPSR1
SCHEMBL9404024 0.84 F2RL1 (0.46) ALDH1A1CA1CA2LMNANPSR1
SCHEMBL10912165 0.83 ALDH1A1 (0.77) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL6364929 0.83 CA2 (0.71) ALDH1A1CA1CA2KDM4ESMN1; SMN2
SCHEMBL9845455 0.82 CA1 (0.70) ALDH1A1CA1CA2LMNANPSR1
SCHEMBL11583429 0.81 LMNA (0.56) ALDH1A1CA1CA2LMNASMN1; SMN2
SCHEMBL8747637 0.81 CA1 (0.49) ALDH1A1CA1CA2LMNANPSR1
SCHEMBL19249688 0.80 ALDH1A1 (0.52) ALDH1A1CA1CA2LMNANPSR1
SCHEMBL30464122 0.80 CA2 (0.41) ALDH1A1CA1CA2LMNANPSR1

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-117865857-A Sulfonic acid monomer, preparation method and application thereof, copolymer and application thereof and drilling fluid 中国石油化工股份有限公司 2024-04-12 CN disclosed