SCHEMBL4661599

SCHEMBL4661599

COc1cccc(C(c2cccc3ccccc23)C(C#N)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 6/20 0.41
MTNR1B P49286 6/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR3 Q99500 1/20 0.38
PTGS1 P23219 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL4661450 0.87 MAPK1 (0.41) MEN1LMNACYP3A4MAPTCYP2C9
SCHEMBL7856720 0.85 MTNR1A (0.46) KMT2ASMN1; SMN2MTNR1AMTNR1BALDH1A1
SCHEMBL4661547 0.85 ALDH1A1 (0.46) MEN1LMNACYP2C9KMT2ASMN1; SMN2
SCHEMBL4661637 0.84 CMA1 (0.42) CYP2C9CYP2C19ALDH1A1
SCHEMBL4661666 0.84 KMT2A (0.45) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL4816417 0.83 SLC6A2 (0.43) MEN1LMNACYP3A4MAPTCYP2C9
SCHEMBL6404486 0.82 KMT2A (0.46) MEN1LMNAKMT2ASLC6A4POLB
SCHEMBL4659895 0.82 KMT2A (0.46) MEN1LMNAKMT2ASLC6A4POLB
SCHEMBL4659897 0.82 KMT2A (0.46) MEN1LMNAKMT2ASLC6A4POLB
SCHEMBL4663676 0.81 ALDH1A1 (0.43) LMNAMAPTCYP2C9CYP2C19ALDH1A1

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
EP-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 EP claimed