SCHEMBL27363495

SCHEMBL27363495

Cc1cc(C)c(OI)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
CSNK2A1 P68400 1/20 0.41
METAP2 P50579 1/20 0.41
TPMT P51580 1/20 0.39
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MYC P01106 1/20 0.37
TTR P02766 1/20 0.37
GAA P10253 2/20 0.36
NOTUM Q6P988 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 2/20 0.36
LCK P06239 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL27447318 0.90 KDM4E (0.48) KDM4ECSNK2A1METAP2TPMTHSD17B10
SCHEMBL27382937 0.83 TPMT (0.42) KDM4ETPMTHSD17B10ALDH1A1MYC
SCHEMBL10920134 0.82 KDM4E (0.55) KDM4ECSNK2A1METAP2TPMTHSD17B10
SCHEMBL9191019 0.81 KDM4E (0.53) KDM4ECSNK2A1METAP2TPMTHSD17B10
SCHEMBL2565863 0.80 CDC25B (0.43) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL27452461 0.78 KMT2A (0.36) KDM4EMETAP2ALDH1A1GAALMNA
SCHEMBL14883883 0.77 KDM4E (0.51) KDM4ECSNK2A1HSD17B10ALDH1A1HPGD
SCHEMBL8955994 0.77 KDM4E (0.49) KDM4ECSNK2A1METAP2TPMTHSD17B10
SCHEMBL6736179 0.75 HSD17B10 (0.55) KDM4ECSNK2A1TPMTHSD17B10ALDH1A1
SCHEMBL13517420 0.74 KDM4E (0.46) KDM4ECSNK2A1METAP2TPMTHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071540-C Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 2001-09-26 CN disclosed
CN-1140542-A Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1997-01-22 CN disclosed