SCHEMBL10978367

SCHEMBL10978367

CC(c1ccccc1I)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP12 P39900 2/20 0.35
MMP13 P45452 2/20 0.35
MMP14 P50281 2/20 0.35
MMP16 P51512 2/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
SRC P12931 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL20742981 0.80 CA1 (0.42) L3MBTL1GABRA1GABRB2POLBKMT2A
SCHEMBL27373607 0.78 GABRA1 (0.56) L3MBTL1MMP1MMP2MMP9MMP8
SCHEMBL3884585 0.78 ESR1 (0.43) L3MBTL1MMP1MMP2MMP9MMP8
SCHEMBL776465 0.76 CES2 (0.42) ALDH1A1MAPTKMT2ANPSR1HTR2C
SCHEMBL11223588 0.76 L3MBTL1 (0.35) L3MBTL1MMP1MMP2MMP9MMP8
SCHEMBL11561462 0.74 CA1 (0.41) L3MBTL1MMP1MMP2MMP9MMP8
SCHEMBL27974155 0.73 ALDH1A1 (0.47) ALDH1A1LMNACYP1A2
SCHEMBL497026 0.73 ALDH1A1 (0.47) ALDH1A1LMNACYP1A2
SCHEMBL31744455 0.72 ALDH1A1 (0.41) L3MBTL1MMP1MMP2MMP9MMP8
SCHEMBL31744376 0.72 ALDH1A1 (0.41) L3MBTL1MMP1MMP2MMP9MMP8

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
EP-0075318-B1 P-HYDROXYPHENYLGLYCINE ALPHA-PHENYLETHANESULFONATE, PROCESS FOR PRODUCTION THEREOF AND UTILIZATION THEREOF IN RESOLUTION OF P-HYDROXYPHENYLGLYCINE Tanabe Seiyaku Co., Ltd. (JP) 1985-08-14 EP claimed