SCHEMBL6847497

SCHEMBL6847497

CCCCCCOc1cc(OCCCCCC)cc(-c2c3nc(c(-c4cc(OCCCCCC)cc(OCCCCCC)c4)c4ccc([nH]4)c(-c4cc(OCCCCCC)cc(OCCCCCC)c4)c4nc(c(-c5ccc(OCCCCCCCCCCCCOC(C)=O)cc5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.45
▸ PDE3A Q14432 3/20 0.45
▸ P2RY12 Q9H244 3/20 0.45
▸ TOP1 P11387 3/20 0.42
▸ CYCS P99999 4/20 0.41
▸ RARB P10826 3/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ PLA2G2A P14555 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL6850253 1.00 PDE3B (0.45) PDE3BPDE3AP2RY12TOP1CYCS
SCHEMBL6851379 1.00 PDE3B (0.45) PDE3BPDE3AP2RY12TOP1CYCS
SCHEMBL6851842 1.00 PDE3B (0.45) PDE3BPDE3AP2RY12TOP1CYCS
SCHEMBL6850167 0.92 PDE3B (0.43) PDE3BPDE3AP2RY12TOP1CYCS
SCHEMBL6847228 0.92 PDE3B (0.43) PDE3BPDE3AP2RY12TOP1CYCS
SCHEMBL6850223 0.92 PDE3B (0.43) PDE3BPDE3AP2RY12TOP1CYCS
SCHEMBL6851454 0.92 PDE3B (0.43) PDE3BPDE3AP2RY12TOP1CYCS
SCHEMBL6847328 0.92 PDE3B (0.43) PDE3BPDE3AP2RY12TOP1CYCS
SCHEMBL6850181 0.92 PDE3B (0.43) PDE3BPDE3AP2RY12TOP1CYCS
SCHEMBL6851518 0.92 PDE3B (0.43) PDE3BPDE3AP2RY12TOP1CYCS

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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