SCHEMBL7340508

SCHEMBL7340508

CCCc1cc(C#N)ccc1OC(C)(C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 5/20 0.39
USP2 O75604 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
PDE5A O76074 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 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
SCHEMBL8790361 0.83 MAPT (0.37) SMN1; SMN2LMNAMAPK1MAPTUSP2
SCHEMBL7338352 0.77 EDNRA (0.45) SMN1; SMN2LMNAMAPK1ALDH1A1MAPT
SCHEMBL23515193 0.75 EDNRB (0.47) SMN1; SMN2LMNAMAPK1ALDH1A1MAPT
SCHEMBL7333299 0.72 EDNRA (0.51) MAPTUSP2EDNRBEDNRAKMT2A
SCHEMBL20534751 0.67 ALDH1A1 (0.42) SMN1; SMN2MAPK1ALDH1A1MAPTCRHBP
SCHEMBL5794655 0.66 ALDH1A1 (0.46) SMN1; SMN2LMNAMAPK1ALDH1A1MAPT
SCHEMBL10441731 0.65 ALDH1A1 (0.51) SMN1; SMN2MAPK1ALDH1A1MAPTMEN1
SCHEMBL29043606 0.64 ALDH1A1 (0.47) MAPK1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL140150 0.64 MAPT (0.51) SMN1; SMN2ALDH1A1MAPTUSP2HTT
SCHEMBL30300332 0.64 MAPT (0.51) SMN1; SMN2ALDH1A1MAPTUSP2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5668176-A ENDOTHELIN ANTAGONIST MERCK & CO. INC. (US) 1997-09-16 US disclosed
US-5565485-A TREATING CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1996-10-15 US disclosed
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 WO disclosed
WO-1996004905-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-02-22 WO disclosed