SCHEMBL9827612

SCHEMBL9827612

O=C1CCCc2c1ccc(O)c2O.O=C1CCCc2c1ccc1c2OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.41
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
ACHE P22303 1/20 0.39
EGFR P00533 1/20 0.35
PRKCI P41743 1/20 0.35
P4HB P07237 1/20 0.32
HSPA1A P0DMV8 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B1 P14061 1/20 0.32
ALOX5 P09917 1/20 0.32
GRM5 P41594 1/20 0.32
ERN1 O75460 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ALPI P09923 1/20 0.32

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
SCHEMBL9521121 0.89 MAOB (0.40) MAOAMAOBPRKCIMAPTNPC1
SCHEMBL9521410 0.82 ACHE (0.53) PSMB5MAOAMAOBACHEEGFR
SCHEMBL3964318 0.79 MAOB (0.42) MAOAMAOBNPC1HTTRAB9A
SCHEMBL6112997 0.79 ACHE (0.53) PSMB5MAOAMAOBACHEEGFR
SCHEMBL6112844 0.79 ACHE (0.53) PSMB5MAOAMAOBACHEEGFR
SCHEMBL23966083 0.76 MAOB (0.40) MAOAMAOBACHENPC1RAB9A
SCHEMBL2886044 0.76 MAPT (0.42) MAOAMAOBPRKCIMAPTNPC1
SCHEMBL22183626 0.76 MAOB (0.40) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL1535917 0.72 ACHE (0.56) PSMB5MAOAMAOBACHEEGFR
SCHEMBL17362278 0.70 MAOA (0.39) MAOAMAOBPRKCIHSD17B1GRM5

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
EP-0395734-A4 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES 1991-01-02 EP disclosed
EP-0395734-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1990-11-07 EP disclosed
WO-1989006645-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1989-07-27 WO disclosed