SCHEMBL7533536

SCHEMBL7533536

CCCCCCCCCCc1ccc(CCCCCCCCCC)c2c1-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cccc(CCCCCCCCCO)c41)-c1c(CCCCCCCCCC)ccc(CCCCCCCCCC)c1-3)c1c(CCCCCCCCCC)ccc(CCCCCCCCCC)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.34
TLR8 Q9NR97 5/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
KCNH2 Q12809 1/20 0.33
BID P55957 3/20 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
SCHEMBL7538832 0.91 TYR (0.36) LIPGCYP3A4HSD17B10ALDH1A1MAPT
SCHEMBL10595842 0.89 CYSLTR2 (0.44) TLR8BIDMCL1BCL2L1BAK1
SCHEMBL7530621 0.85 KCNH2 (0.38) LIPGTLR8CYP3A4MAPTKCNH2
SCHEMBL7056015 0.85 KCNH2 (0.38) LIPGTLR8CYP3A4MAPTKCNH2
SCHEMBL7580690 0.85 KCNH2 (0.38) LIPGTLR8CYP3A4MAPTKCNH2
SCHEMBL7717379 0.83 KCNH2 (0.37) LIPGTLR8CYP3A4MAPTKCNH2
SCHEMBL7572175 0.83 KCNH2 (0.35) LIPGTLR8KDM4ECYP3A4HSD17B10
SCHEMBL7536961 0.81 NR1H2 (0.38) LIPGTLR8KDM4ECYP3A4HSD17B10
SCHEMBL6512213 0.81 NR1H2 (0.38) LIPGTLR8KDM4ECYP3A4HSD17B10
SCHEMBL6513226 0.81 NR1H2 (0.38) LIPGTLR8KDM4ECYP3A4HSD17B10

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
EP-0714298-B1 Photosensitiser containing phthalocyanine derivative for photodynamic therapy of tumours QINETIQ LTD (GB) 2002-04-24 EP disclosed
US-6096734-A ANTITUMOR THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE AND EVALUATION RESEARCH AGENCY (GB) 2000-08-01 US disclosed
US-5834455-A CANCER PHOTODYNAMIC THERAPY USING A PHTHALOCYANINE DYES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE & EVALUATION RESEARCH AGENCY, DRA (GB) 1998-11-10 US disclosed
WO-1995005818-A1 PHOTOSENSITIZERS THE SECRETARY OF STATE FOR DEFENCE (GB) 1995-03-02 WO disclosed