SCHEMBL9681696

SCHEMBL9681696

Cc1cc(Oc2ccc(CC(c3ccccc3)c3ccc(Oc4cc(C)c(N)c(C)c4)cc3)cc2)cc(C)c1N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.42
▸ PDE4A P27815 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ ST14 Q9Y5Y6 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL11083127 0.80 LTA4H (0.50) PPARGST14MEN1KMT2ANPC1
SCHEMBL5028191 0.78 LTA4H (0.52) PPARGMEN1KMT2ANPC1RAB9A
SCHEMBL8126114 0.77 MAOA (0.59) BACE1PPARGSLC6A2SLC6A4SLC6A3
SCHEMBL9680517 0.76 ST14 (0.48) PPARGST14MEN1KMT2ANPC1
SCHEMBL21085645 0.72 LTA4H (0.62) PPARGSLC6A2SLC6A3MEN1KMT2A
SCHEMBL17294399 0.71 MEN1 (0.41) BACE1PDE4AST14MEN1KMT2A
SCHEMBL217345 0.71 MEN1 (0.62) BACE1PPARGSLC6A4MEN1KMT2A
SCHEMBL10605236 0.70 TEAD4 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL730661 0.70 SLC6A2 (0.53) PDE4ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL31238589 0.70 ALDH1A1 (0.69) MEN1KMT2ANPC1RAB9ANLRP3

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-5112942-A Copolymers, aromatic diamine with alkyl substituents and phenoxy substituted aromatic diamine, resistance to stess cracking ETHYL CORPORATION (US) 1992-05-12 — — US disclosed
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