SCHEMBL29128604

SCHEMBL29128604

COC(=O)C(C)CS(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
ESRRB O95718 1/20 0.46
MMP2 P08253 1/20 0.44
ADAM17 P78536 1/20 0.44
MMP13 P45452 3/20 0.43
MMP1 P03956 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL28253203 0.87 ALDH1A1 (0.47) KMT2AMMP2ADAM17MMP13MMP1
SCHEMBL9218545 0.85 POLB (0.47) KMT2AESRRBMMP13POLB
SCHEMBL8414713 0.85 POLB (0.47) KMT2AESRRBMMP13POLB
SCHEMBL2923150 0.77 CA2 (0.52) KMT2AMMP2MMP13MMP1ESR1
SCHEMBL7697681 0.74 MMP13 (0.56) KMT2AMMP2ADAM17MMP13MMP1
SCHEMBL23370067 0.73 AOC2 (0.53) KMT2AMMP2MMP13MMP1ESR1
SCHEMBL4185343 0.73 ESR1 (0.65) KMT2AESRRBESR1ESR2CA2
SCHEMBL5546946 0.73 ESR1 (0.65) KMT2AESRRBESR1ESR2CA2
SCHEMBL15314148 0.73 ESR1 (0.65) KMT2AESRRBESR1ESR2CA2
SCHEMBL2586496 0.72 CA12 (0.53) KMT2ACA2CA12CA1CA9

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-116997546-A APOL1 inhibitors and methods of use 梅兹治疗公司 2023-11-03 CN disclosed