SCHEMBL12048587

SCHEMBL12048587

COCCOCCOc1cc(OCCOCCOC)cc(-c2c3nc(c(-c4cc(OCCOCCOC)cc(OCCOCCOC)c4)c4ccc([nH]4)c(-c4cc(OCCOCCOC)cc(OCCOCCOC)c4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ CYCS P99999 4/20 0.42
▸ TOP1 P11387 3/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ CSF1R P07333 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
SCHEMBL6002170 0.88 TERT (0.40) TERTCYCSTOP1ABCG2
SCHEMBL6711729 0.82 STAT3 (0.49) TERTSTAT3STAT1CYCSABCG2
SCHEMBL21870670 0.79 TOP1 (0.47) TERTSTAT3STAT1CYCSTOP1
SCHEMBL14181444 0.79 MAPT (0.46) TERTSTAT3STAT1CYCSTOP1
SCHEMBL14181436 0.79 TOP1 (0.47) TERTSTAT3STAT1CYCSTOP1
SCHEMBL4745594 0.78 STAT3 (0.52) TERTSTAT3STAT1CYCS
SCHEMBL6035426 0.77 TOP1 (0.46) TERTCYCSTOP1ABCG2
SCHEMBL6035947 0.77 TOP1 (0.46) TERTCYCSTOP1ABCG2
SCHEMBL29408468 0.74 TERT (0.51) TERTCYCSTOP1ABCG2
SCHEMBL498495 0.74 TERT (0.51) TERTCYCSTOP1ABCG2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071760-B2 Boron-containing porphyrin compounds and their uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2011-12-06 — — US disclosed
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