SCHEMBL7339641

SCHEMBL7339641

CCCc1cc(S(=O)(=O)NN(C)C(C)=O)ccc1OC(C(=O)OC)c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.55
EDNRB P24530 9/20 0.55
AGTR1 P30556 2/20 0.44
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 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
SCHEMBL7341468 0.92 EDNRA (0.58) EDNRAEDNRBAGTR1TSHRALDH1A1
SCHEMBL7338422 0.88 EDNRA (0.60) EDNRAEDNRBAGTR1TSHRMAPT
SCHEMBL7336722 0.87 EDNRA (0.74) EDNRAEDNRBAGTR1
SCHEMBL7339637 0.87 EDNRA (0.42) EDNRAEDNRBAGTR1
SCHEMBL7332725 0.85 EDNRA (0.58) EDNRAEDNRBAGTR1TSHRALDH1A1
SCHEMBL8903655 0.85 EDNRA (0.61) EDNRAEDNRBAGTR1TSHRMAPT
SCHEMBL7334516 0.83 EDNRA (0.58) EDNRAEDNRBAGTR1TSHRMAPT
SCHEMBL7339477 0.80 EDNRA (0.59) EDNRAEDNRBAGTR1TSHRMAPT
SCHEMBL7332065 0.80 EDNRA (0.63) EDNRAEDNRBAGTR1TSHRALDH1A1
SCHEMBL7341465 0.80 EDNRA (0.44) EDNRAEDNRBAGTR1

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
WO-1996004905-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-02-22 WO disclosed