SCHEMBL7683274

SCHEMBL7683274

COc1cc(C=O)c(I)cc1OC(C)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
PRKDC P78527 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ERN1 O75460 8/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APP P05067 1/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL661869 0.87 ALDH1A1 (0.52) ALDH1A1PRKDCKDM4ETSHRTDP1
SCHEMBL1589608 0.85 ALDH1A1 (0.65) ALDH1A1PRKDCKDM4ETSHRTDP1
SCHEMBL3268135 0.75 ERN1 (0.50) ALDH1A1PRKDCKDM4ETSHRTDP1
SCHEMBL9864647 0.75 CGAS (0.52) ALDH1A1PRKDCKDM4ETSHRTDP1
SCHEMBL7683278 0.74 PRKDC (0.47) ALDH1A1PRKDCKDM4ETSHRTDP1
SCHEMBL32668636 0.73 PRKDC (0.58) ALDH1A1PRKDCKDM4ETSHRTDP1
SCHEMBL28984397 0.73 PRKDC (0.48) ALDH1A1PRKDCKDM4ETSHRTDP1
SCHEMBL12082032 0.73 ALDH1A1 (0.53) ALDH1A1PRKDCKDM4ETSHRTDP1
SCHEMBL2816956 0.72 ALDH1A1 (0.69) ALDH1A1PRKDCKDM4ETSHRTDP1
SCHEMBL13766029 0.72 ALDH1A1 (0.49) ALDH1A1PRKDCKDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420392-B1 PAF RECEPTOR ANTAGONISTS AND/OR BY INHIBITING THE ENZYME 5-LIPOXYGENASE. MILLENNIUM PHARMACEUTICALS, INC. 2002-07-16 US disclosed
EP-0749306-A4 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED INC (US) 1997-04-16 EP disclosed
EP-0749306-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1996-12-27 EP disclosed
WO-1995018610-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1995-07-13 WO disclosed