SCHEMBL6851385

SCHEMBL6851385

CCCCCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCCCCCC)cc(C2=C3C=CC(=N3)C(c3cc(OCCCCCCCCCCCCCCCC)cc(OCCCCCCCCCCCCCCCC)c3)=C3C=CC(=N3)C(c3cc(OCCCCCCCCCCCCCCCC)cc(OCCCCCCCCCCCCCCCC)c3)=C3C=CC(=N3)C(c3ccc(OCCCCCCCCCCCCOC(C)=O)cc3)=C3C=CC2=N3)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.44
▸ PLA2G2A P14555 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PLA2G4B P0C869 4/20 0.40
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ P2RY12 Q9H244 2/20 0.40
▸ NR5A1 Q13285 1/20 0.39
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PLA2G4A P47712 1/20 0.37

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
SCHEMBL6851857 1.00 RARB (0.44) RARBPLA2G2ATP53TSHRPLA2G4B
SCHEMBL6850260 1.00 RARB (0.44) RARBPLA2G2ATP53TSHRPLA2G4B
SCHEMBL6847498 1.00 RARB (0.44) RARBPLA2G2ATP53TSHRPLA2G4B
SCHEMBL6851460 0.91 RARB (0.41) RARBTP53TSHRPLA2G4BPDE3B
SCHEMBL6851520 0.91 PLA2G4B (0.44) RARBTP53TSHRPLA2G4BPDE3B
SCHEMBL6847323 0.91 PLA2G4B (0.44) RARBTP53TSHRPLA2G4BPDE3B
SCHEMBL6851875 0.91 PLA2G4B (0.44) RARBTP53TSHRPLA2G4BPDE3B
SCHEMBL6847239 0.91 RARB (0.41) RARBTP53TSHRPLA2G4BPDE3B
SCHEMBL6850190 0.91 RARB (0.41) RARBTP53TSHRPLA2G4BPDE3B
SCHEMBL6850231 0.91 RARB (0.41) RARBTP53TSHRPLA2G4BPDE3B

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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