SCHEMBL7030486

SCHEMBL7030486

CCCC1=C(C(C)(C)CC(=O)O)C(=O)C=C(C)C1=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.30

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
SCHEMBL7024439 0.85 PTPN1 (0.47) PTPN1
SCHEMBL7028622 0.81
SCHEMBL7023519 0.80 CYP2C19 (0.33)
SCHEMBL7020215 0.77 CYP2C19 (0.33)
SCHEMBL7023407 0.75 ALOX15 (0.33) PTPN1
SCHEMBL10298946 0.72 PTPN1 (0.34) PTPN1
SCHEMBL10298961 0.67 CYP2C19 (0.35)
SCHEMBL13937723 0.67 HMGCR (0.41)
SCHEMBL10298937 0.66 CYP2C19 (0.34)
SCHEMBL3673538 0.65 CYP2C19 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064257-B1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
EP-1064253-B1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6472435-B1 ANTITUMOR ANTIPROLIFERATION AGENT FORMED BY AMIDATION OF CARBOXY ACID WITH AROMATIC AMINE COMPOUND ASTRAZENECA AB (SE) 2002-10-29 US disclosed
US-6346633-B1 TERT-AMINOPHENYLESTER OF ACID ASTRAZENECA AB (SE) 2002-02-12 US disclosed
EP-1064253-A1 ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2001-01-03 EP disclosed
EP-1064257-A1 ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2001-01-03 EP disclosed
WO-1999048857-A1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 1999-09-30 WO disclosed
WO-1999048860-A1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 1999-09-30 WO disclosed