SCHEMBL4251120

SCHEMBL4251120

Cc1cc2[nH]c(CCCCC=O)c(CCc3ccccc3)c2cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DVL1 O14640 3/20 0.52
▸ DVL3 Q92997 3/20 0.52
▸ ADRB2 P07550 1/20 0.38
▸ PPARG P37231 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ RARB P10826 1/20 0.34
▸ MTNR1A P48039 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL3078012 0.74 DVL1 (0.60) DVL1DVL3ADRB2PPARGRARB
SCHEMBL1913466 0.73 DVL1 (0.52) DVL1DVL3ADRB2PPARGALOX5
SCHEMBL29381538 0.73 DVL1 (0.52) DVL1DVL3ADRB2PPARGALOX5
SCHEMBL6883142 0.71 DVL1 (0.35) DVL1DVL3ADRB2PPARGRARB
SCHEMBL30282651 0.70 SIRT1 (0.44) RARBMEN1KMT2A
SCHEMBL28655045 0.70 SIRT1 (0.44) RARBMEN1KMT2A
SCHEMBL28659051 0.69 SIRT1 (0.43) RARBMEN1KMT2A
SCHEMBL10260354 0.69 DVL1 (0.64) DVL1DVL3PDE4DMTNR1AMTNR1B
SCHEMBL28654122 0.69 SIRT1 (0.43) RARBMEN1KMT2A
SCHEMBL28649772 0.68 SIRT1 (0.44) RARBMEN1KMT2A

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-1781609-A4 SMALL MOLECULE INHIBITION OF A PDZ-DOMAIN INTERACTION UNIV CALIFORNIA (US) 2009-07-29 — — EP disclosed
EP-1781609-A1 SMALL MOLECULE INHIBITION OF A PDZ-DOMAIN INTERACTION The Regents of the University of California (US) 2007-05-09 — — EP disclosed
WO-2006007542-A1 SMALL MOLECULE INHIBITION OF A PDZ-DOMAIN INTERACTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-19 — — WO disclosed
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