SCHEMBL6928359

SCHEMBL6928359

O=C(O)C[C]1CCCCCCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
CA2 P00918 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
AKR1B1 P15121 1/20 0.35
GAA P10253 3/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
ABCC4 O15439 1/20 0.34
PTGS1 P23219 1/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
KDM4E B2RXH2 2/20 0.33
FFAR3 O14843 1/20 0.33
CASP1 P29466 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RGS12 O14924 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
SCHEMBL6946769 1.00 POLB (0.42) POLBCA2CAMK2AALDH1A1KMT2A
SCHEMBL827636 1.00 POLB (0.42) POLBCA2CAMK2AALDH1A1KMT2A
SCHEMBL9781967 0.97
SCHEMBL10663300 0.92
SCHEMBL3043655 0.85
SCHEMBL27861148 0.76 CA2 (0.39) CA2ALDH1A1KMT2ATSHRHTT
SCHEMBL7976967 0.76 POLB (0.32) POLBALDH1A1KMT2AHTTTDP1
SCHEMBL10721635 0.74 POLB (0.39) POLBCA2CAMK2AALDH1A1AKR1B1
SCHEMBL10665467 0.74 FFAR1 (0.42) CA2ALDH1A1LMNATHRATHRB
SCHEMBL3608741 0.72 FFAR1 (0.41) CA2ALDH1A1LMNATHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003099810-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-12-04 WO claimed
EP-1257549-A2 MATRIX METALLOPROTEINASE INHIBITORS AND USES THEREOF Bristol-Myers Squibb Pharma Company (US) 2002-11-20 EP claimed
WO-2001060820-A2 MATRIX METALLOPROTEINASE INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-08-23 WO claimed
EP-1296678-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
WO-2001098294-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed
EP-1068224-A2 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS Du Pont Pharmaceuticals Company (US) 2001-01-17 EP disclosed
WO-1999058162-A2 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-11-18 WO disclosed