SCHEMBL18231377

SCHEMBL18231377

COC(=O)c1cc(-c2cc(C(C)=O)cc3ccccc23)ccc1CF

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 5/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 4/20 0.39
▸ GPR84 Q9NQS5 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ BDKRB1 P46663 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL16548130 0.85 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16540066 0.84 SLC6A3 (0.47) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16548207 0.83 SLC6A3 (0.46) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16548087 0.83 KMT2A (0.47) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16548090 0.82 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16548289 0.81 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16548208 0.81 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16548215 0.80 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL18231367 0.77 MAPT (0.48) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL17950622 0.76 CYP4F2 (0.44) ALDH1A1HPGDKDM4ENPSR1MAPT

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
US-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US disclosed
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