SCHEMBL25997471

SCHEMBL25997471

CCCNc1ccc2cc(-c3nc4cc(C(=O)NC(CNC(=O)C5=C/C=C\C=C/C=C\5)C(=O)O)ccc4o3)c(=O)oc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ HPSE Q9Y251 10/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.36
▸ TAS1R1 Q7RTX1 2/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ APLNR P35414 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL23419434 0.91 ITGB3 (0.37) ITGB3ITGA2BHPSETAS1R3TAS1R1
SCHEMBL23419323 0.89 MAPT (0.44) ITGB3ITGA2BHDAC6TP53NPC1
SCHEMBL25997472 0.80 HPSE (0.49) HPSETP53NPC1RAB9AMAPT
SCHEMBL23453356 0.77 MAPT (0.41) HDAC6TP53NPC1RAB9AMAPT
SCHEMBL25997464 0.77 ITGB3 (0.39) ITGB3ITGA2BHPSETAS1R3TAS1R1
SCHEMBL23453246 0.73 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL26082652 0.72 MAPT (0.35) ITGB3ITGA2BTAS1R3TAS1R1TP53
SCHEMBL26082926 0.72 MAPT (0.35) HDAC6TP53NPC1RAB9AMAPT
SCHEMBL26073482 0.71 AGPAT2 (0.49) TP53NPC1RAB9AMAPT
SCHEMBL23419400 0.69 MAPT (0.42) HDAC6TP53NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12031178-B2 Cyclooctatetraene containing dyes and compositions ILLUMINA CAMBRIDGE LIMITED (GB) 2024-07-09 — — US disclosed
US-20230265503-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2023-08-24 — — US disclosed
US-20230265502-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2023-08-24 — — US disclosed
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