SCHEMBL6850426

SCHEMBL6850426

CCCCCCCCCCCCCCCCOc1cc(C2=C3C=CC(=N3)C(c3cc(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c3)=C3C=CC(=N3)C(c3cc(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c3)=C3C=CC(=N3)C(c3ccc(OCCCCCCCCCCCCCCCCO)cc3)=C3C=CC2=N3)cc(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.39
▸ NR5A1 Q13285 1/20 0.39
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PTPN11 Q06124 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ PLA2G4B P0C869 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ USP2 O75604 1/20 0.36

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
SCHEMBL6850360 1.00 RARB (0.39) RARBNR5A1HTR2AHTR2CHTR1B
SCHEMBL6847301 1.00 RARB (0.39) RARBNR5A1HTR2AHTR2CHTR1B
SCHEMBL6851458 1.00 RARB (0.39) RARBNR5A1HTR2AHTR2CHTR1B
SCHEMBL6851567 1.00 RARB (0.39) RARBNR5A1HTR2AHTR2CHTR1B
SCHEMBL6851825 0.90 NR5A1 (0.42) RARBNR5A1HTR2AHTR2CHTR1B
SCHEMBL6847400 0.90 NR5A1 (0.42) RARBNR5A1HTR2AHTR2CHTR1B
SCHEMBL6850146 0.90 NR5A1 (0.42) RARBNR5A1HTR2AHTR2CHTR1B
SCHEMBL6847491 0.90 NR5A1 (0.42) RARBNR5A1HTR2AHTR2CHTR1B
SCHEMBL6847239 0.88 RARB (0.41) RARBNR5A1PTPN11TP53TSHR
SCHEMBL6850231 0.88 RARB (0.41) RARBNR5A1PTPN11TP53TSHR

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-1107971-B1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM DESTINY PHARMA LTD (GB) 2004-11-24 — — EP disclosed
US-6630128-B1 Insoluble support DESTINY PHARMA LIMITED (GB) 2003-10-07 — — US disclosed
EP-1107971-A1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM Destiny Pharma Limited (GB) 2001-06-20 — — EP disclosed
WO-2000012512-A1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM DESTINY PHARMA LIMITED (GB) 2000-03-09 — — WO disclosed
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