SCHEMBL8788232

SCHEMBL8788232

CCCc1cc(S(=O)(=O)NC(=O)OC(C)(C)C)ccc1Oc1c(C(C)C(=O)O)ccc2c1OCO2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.42
EDNRB P24530 4/20 0.42
AGTR1 P30556 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7338352 0.77 EDNRA (0.45) EDNRAEDNRBAGTR1ALDH1A1KDM4E
SCHEMBL7334516 0.74 EDNRA (0.58) EDNRAEDNRBAGTR1ALDH1A1TSHR
SCHEMBL7339367 0.73 EDNRA (0.75) EDNRAEDNRBAGTR1
SCHEMBL7332362 0.69 EDNRA (0.56) EDNRAEDNRBAGTR1
SCHEMBL7337616 0.68 EDNRA (0.43) EDNRAEDNRBALDH1A1KDM4EMEN1
SCHEMBL8126633 0.67 EDNRB (0.50) EDNRAEDNRBALDH1A1KDM4EPKM
SCHEMBL8906313 0.67 EDNRA (0.64) EDNRAEDNRBAGTR1TSHRMEN1
SCHEMBL7332065 0.66 EDNRA (0.63) EDNRAEDNRBAGTR1ALDH1A1TSHR
SCHEMBL7397394 0.65 EDNRA (0.62) EDNRAEDNRBAGTR1
SCHEMBL7333106 0.64 PPARG (0.42) EDNRAEDNRBALDH1A1KDM4ETSHR

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
EP-0774965-A4 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO INC (US) 1997-10-29 EP disclosed
EP-0774965-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO. INC. (US) 1997-05-28 EP disclosed