SCHEMBL8788478

SCHEMBL8788478

CCCc1cc(S(=O)(=O)NNC(=O)CC)ccc1OC(C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.59
EDNRB P24530 8/20 0.59
AGTR1 P30556 2/20 0.45
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL7332065 0.88 EDNRA (0.63) EDNRAEDNRBAGTR1TSHRALDH1A1
SCHEMBL8906313 0.85 EDNRA (0.64) EDNRAEDNRBAGTR1TSHRMEN1
SCHEMBL7341468 0.84 EDNRA (0.58) EDNRAEDNRBAGTR1TSHRALDH1A1
SCHEMBL7338422 0.80 EDNRA (0.60) EDNRAEDNRBAGTR1TSHRALDH1A1
SCHEMBL7336213 0.80 EDNRA (0.57) EDNRAEDNRBAGTR1TSHRMEN1
SCHEMBL8904044 0.79 EDNRA (0.55) EDNRAEDNRBAGTR1KMT2A
SCHEMBL7339368 0.78 EDNRA (0.61) EDNRAEDNRBTSHRALDH1A1MEN1
SCHEMBL7338441 0.78 EDNRA (0.60) EDNRAEDNRBAGTR1TSHRALDH1A1
SCHEMBL7336115 0.78 EDNRA (0.61) EDNRAEDNRBAGTR1MEN1KMT2A
SCHEMBL8903655 0.78 EDNRA (0.61) EDNRAEDNRBAGTR1TSHRALDH1A1

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