SCHEMBL6851530

SCHEMBL6851530

CCCCCCCCCCOc1cc(-c2c3nc(c(-c4cc(OCCCCCCCCCC)c(OCCCCCCCCCC)c(OCCCCCCCCCC)c4)c4ccc([nH]4)c(-c4cc(OCCCCCCCCCC)c(OCCCCCCCCCC)c(OCCCCCCCCCC)c4)c4nc(c(-c5ccc(OCCCCCCO)cc5)c5ccc2[nH]5)C=C4)C=C3)cc(OCCCCCCCCCC)c1OCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 3/20 0.40
▸ XDH P47989 2/20 0.39
▸ TOP1 P11387 3/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ RARB P10826 3/20 0.37
▸ CYCS P99999 3/20 0.37
▸ NR5A1 Q13285 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ P2RY12 Q9H244 1/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR2B P41595 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
SCHEMBL6851866 1.00 TERT (0.40) TERTXDHTOP1ABCG2RARB
SCHEMBL6851452 1.00 TERT (0.40) TERTXDHTOP1ABCG2RARB
SCHEMBL6851415 1.00 TERT (0.40) TERTXDHTOP1ABCG2RARB
SCHEMBL6847284 1.00 TERT (0.40) TERTXDHTOP1ABCG2RARB
SCHEMBL6850321 1.00 TERT (0.40) TERTXDHTOP1ABCG2RARB
SCHEMBL6850353 1.00 TERT (0.40) TERTXDHTOP1ABCG2RARB
SCHEMBL6851561 1.00 TERT (0.40) TERTXDHTOP1ABCG2RARB
SCHEMBL6847488 0.91 TERT (0.42) TERTXDHTOP1ABCG2RARB
SCHEMBL6847391 0.91 TERT (0.42) TERTXDHTOP1ABCG2RARB
SCHEMBL6850139 0.91 TERT (0.42) TERTXDHTOP1ABCG2RARB

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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