SCHEMBL27856477

SCHEMBL27856477

C=CC(c1ccc(C)cc1)S(=O)(=O)N1CCC(C(=O)O)CC1CO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 7/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL27856475 0.80 USP2 (0.54) USP2TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL8219313 0.78 POLB (0.49) TSHRALDH1A1KMT2AMEN1CYP2C9
SCHEMBL6518443 0.78 POLB (0.49) TSHRALDH1A1KMT2AMEN1CYP2C9
SCHEMBL6523714 0.78 POLB (0.49) TSHRALDH1A1KMT2AMEN1CYP2C9
SCHEMBL27856508 0.68 CYP2C19 (0.37) USP2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL27762537 0.66 DPP4 (0.36) USP2TSHRALDH1A1KMT2AKDM4E
SCHEMBL6522988 0.66 ALDH1A1 (0.48) TSHRALDH1A1KMT2APOLB
SCHEMBL8224388 0.66 ALDH1A1 (0.48) TSHRALDH1A1KMT2APOLB
SCHEMBL6518007 0.66 ALDH1A1 (0.48) TSHRALDH1A1KMT2APOLB
SCHEMBL8219207 0.65 FAAH (0.49) ALDH1A1KMT2ACYP2C9SMN1; SMN2CYP2C19

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-102498099-A HSL inhibitors useful in the treatment of diabetes HOFFMANN LA ROCHE 2012-06-13 — — CN disclosed
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