SCHEMBL7311630

SCHEMBL7311630

CNc1ccc(C(=O)OC)c(S(=O)(=O)c2ccc(OC)cc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 2/20 0.45
TSHR P16473 3/20 0.43
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP13 P45452 2/20 0.42
MMP12 P39900 1/20 0.42
MMP14 P50281 1/20 0.42
MMP16 P51512 1/20 0.42
F2 P00734 2/20 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
SCHEMBL7315181 0.83 LMNA (0.42) LMNASMN1; SMN2RAPGEF4ALDH1A1TP53
SCHEMBL7311423 0.79 KDM4E (0.43) LMNASMN1; SMN2RAPGEF4ALDH1A1TP53
SCHEMBL7323234 0.76 MMP1 (0.44) LMNASMN1; SMN2ALDH1A1MMP9MMP13
SCHEMBL15417550 0.72 PKM (0.72) RAPGEF4ALDH1A1TP53GAAMAPT
SCHEMBL7314106 0.72 LMNA (0.43) LMNASMN1; SMN2RAPGEF4ALDH1A1TP53
SCHEMBL7317781 0.70 RAPGEF4 (0.47) LMNASMN1; SMN2RAPGEF4ALDH1A1TP53
SCHEMBL7317121 0.70 LMNA (0.42) LMNASMN1; SMN2RAPGEF4ALDH1A1TP53
SCHEMBL7316366 0.70 MMP13 (0.42) ALDH1A1PKMNPSR1MMP2MMP9
SCHEMBL6534945 0.69 FFAR4 (0.56) LMNASMN1; SMN2RAPGEF4ALDH1A1TP53
SCHEMBL34468649 0.68 GAA (0.61) SMN1; SMN2RAPGEF4ALDH1A1TP53GAA

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
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed