SCHEMBL6847239

SCHEMBL6847239

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(OCCCCCCCCCCCCOC(C)=O)cc3)=C3C=CC2=N3)cc(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.41
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ P2RY12 Q9H244 2/20 0.38
▸ PLA2G4B P0C869 1/20 0.38
▸ PTPN11 Q06124 5/20 0.38
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NR5A1 Q13285 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 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
SCHEMBL6850231 1.00 RARB (0.41) RARBTP53TSHRPDE3BPDE3A
SCHEMBL6850190 1.00 RARB (0.41) RARBTP53TSHRPDE3BPDE3A
SCHEMBL6851460 1.00 RARB (0.41) RARBTP53TSHRPDE3BPDE3A
SCHEMBL6850230 1.00 RARB (0.41) RARBTP53TSHRPDE3BPDE3A
SCHEMBL6850260 0.91 RARB (0.44) RARBTP53TSHRPDE3BPDE3A
SCHEMBL6847498 0.91 RARB (0.44) RARBTP53TSHRPDE3BPDE3A
SCHEMBL6851857 0.91 RARB (0.44) RARBTP53TSHRPDE3BPDE3A
SCHEMBL6851385 0.91 RARB (0.44) RARBTP53TSHRPDE3BPDE3A
SCHEMBL6850426 0.88 RARB (0.39) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL6847301 0.88 RARB (0.39) RARBTP53TSHRPLA2G4BPTPN11

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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