SCHEMBL9454564

SCHEMBL9454564

O=C(O)c1cc(/C=C/c2ccccc2)[nH]n1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.70
▸ NPC1 O15118 1/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ HCAR2 Q8TDS4 4/20 0.58
▸ PTGS2 P35354 1/20 0.51
▸ PTPN1 P18031 3/20 0.47
▸ HNF4A P41235 1/20 0.47
▸ DAO P14920 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PTPN6 P29350 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ TTR P02766 1/20 0.42

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
SCHEMBL9454573 1.00 POLB (0.70) POLBNPC1RAB9AHCAR2PTGS2
SCHEMBL5527097 0.88 PTGS2 (0.68) POLBNPC1RAB9AHCAR2PTGS2
SCHEMBL5527093 0.88 PTGS2 (0.68) POLBNPC1RAB9AHCAR2PTGS2
SCHEMBL14342571 0.78 PTGS2 (0.68) POLBNPC1RAB9APTGS2DAO
SCHEMBL16231708 0.78 DAO (0.54) POLBNPC1RAB9APTGS2PTPN1
SCHEMBL1793303 0.77 PTGS2 (0.87) POLBNPC1RAB9APTGS2KDM4E
SCHEMBL1793300 0.77 PTGS2 (0.87) POLBNPC1RAB9APTGS2KDM4E
SCHEMBL1793302 0.77 PTGS2 (0.87) POLBNPC1RAB9APTGS2KDM4E
SCHEMBL14342572 0.77 PTGS2 (0.87) POLBNPC1RAB9APTGS2KDM4E
SCHEMBL5599558 0.77 HCAR2 (0.63) POLBNPC1RAB9AHCAR2DAO

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-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 — — US disclosed
EP-0318860-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 — — EP disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 — — EP disclosed
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