SCHEMBL3922996

SCHEMBL3922996

CCCCC1CC(Cn2nnc(-c3ccc(C(c4ccc(OCc5ccccn5)cc4)C(C)(C)C)cc3)n2)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.38
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ADAMTS4 O75173 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL5660237 0.89 ALOX5 (0.36) LTA4HMEN1KMT2ALMNAALDH1A1
SCHEMBL3922997 0.84 MEN1 (0.42) LTA4HMEN1KMT2ALMNAALDH1A1
SCHEMBL5660242 0.81 YAP1 (0.42) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL2246968 0.79 NPC1 (0.41) LMNANPC1TP53RAB9AALOX5
SCHEMBL13248365 0.78 MEN1 (0.56) MEN1KMT2ALMNANPC1TP53
SCHEMBL2245019 0.76 NPC1 (0.47) KMT2ALMNANPC1TP53RAB9A
SCHEMBL2248325 0.74 NPC1 (0.39) LMNANPC1TP53RAB9AALOX5
SCHEMBL2246935 0.74 NPC1 (0.39) LMNANPC1TP53RAB9AALOX5
SCHEMBL2996834 0.74 ADAMTS4 (0.46) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL13248366 0.74 NPSR1 (0.45) MEN1KMT2ALMNANPC1TP53

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-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 — — EP disclosed
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