SCHEMBL10473628

SCHEMBL10473628

O=C1C=C2c3c(O)cc(OCCCCCc4ccccc4)cc3C3CCCCC3C2CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ MAOB P27338 7/20 0.34
▸ MAOA P21397 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ FKBP1A P62942 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ PLA2G4B P0C869 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL10472693 0.99 BCHE (0.35) NAAABCHEACHEMAOBMAOA
SCHEMBL10473938 0.86 FKBP1A (0.39) FKBP1A
SCHEMBL10473300 0.84 PDE4A (0.35) FKBP1AS1PR1
SCHEMBL10474087 0.84 PDE4A (0.35) FKBP1AS1PR1
SCHEMBL10473627 0.84 PDE4A (0.35) FKBP1AS1PR1
SCHEMBL10473298 0.84 PDE4A (0.35) FKBP1AS1PR1
SCHEMBL10472786 0.79 HPGD (0.37) NAAABCHEACHEFFAR1FKBP1A
SCHEMBL10474094 0.78 ACHE (0.41) NAAABCHEACHEMAOBMAOA
SCHEMBL11191930 0.78 MAOB (0.38) BCHEACHEMAOBMAOAFFAR1
SCHEMBL11175220 0.78 MAOB (0.38) BCHEACHEMAOBMAOAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920221-A CENTRAL NERVOUS SYSTEM ACTIVE AGENTS PFIZER INC. (US) 1990-04-24 — — US disclosed
US-4642373-A Substituted dodecahydrotripheylenes, and decahydropyrrolo[1,2-f]phenanthridines as CNS agents PFIZER INC. (US) 1987-02-10 — — US disclosed
US-4473704-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-09-25 — — US disclosed
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