SCHEMBL11862600

SCHEMBL11862600

O=Cc1coc2c3c(ccc2c1=O)CCCC3

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 14/20 0.51
▸ POLB P06746 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ NQO1 P15559 4/20 0.41
▸ PTPN2 P17706 2/20 0.40
▸ PRKDC P78527 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL11862946 0.75 NQO1 (0.46) MAOBNQO1PRKDCKDM4EMAPT
SCHEMBL21591443 0.72 PTPN1 (0.56) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL11865039 0.71 PTPN1 (0.54) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL29951632 0.69 PTPN1 (0.56) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL1306154 0.69 PTPN1 (0.56) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL11252346 0.68 PTPN1 (0.54) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL11872015 0.68 PTPN1 (1.00) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL29950744 0.68 PTPN1 (1.00) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL29954142 0.67 PTPN1 (0.54) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL30307601 0.66 PTPN1 (0.62) PTPN1POLBMEN1KMT2AMAOA

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-3959480-A Polycyclic gamma-pyrone-3-carboxaldehyde derivatives WARNER-LAMBERT COMPANY (US) 1976-05-25 — — US disclosed
Send feedback