SCHEMBL23419434

SCHEMBL23419434

O=C(NCC(NC(=O)c1ccc2oc(-c3cc4ccc(NCCCS(=O)(=O)O)cc4oc3=O)nc2c1)C(=O)O)C1=C/C=C\C=C/C=C\1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ HDAC6 Q9UBN7 5/20 0.33
▸ TP53 P04637 1/20 0.32
▸ TAS1R3 Q7RTX0 2/20 0.32
▸ TAS1R1 Q7RTX1 2/20 0.32
▸ ITGB1 P05556 2/20 0.31
▸ ITGA4 P13612 2/20 0.31
▸ ITGB7 P26010 2/20 0.31
▸ HPSE Q9Y251 1/20 0.31
▸ HDAC3 O15379 2/20 0.30
▸ HDAC1 Q13547 2/20 0.30
▸ HDAC2 Q92769 2/20 0.30
▸ HDAC8 Q9BY41 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL25997471 0.91 ITGB3 (0.37) ITGB3ITGA2BHDAC6TP53TAS1R3
SCHEMBL23419323 0.84 MAPT (0.44) ITGB3ITGA2BHDAC6TP53MAPT
SCHEMBL23453246 0.82 ITGB3 (0.35) ITGB3ITGA2BITGB1ITGA4ITGB7
SCHEMBL31135859 0.81 HSPD1 (0.40) HDAC6TP53HPSEMAPTNPC1
SCHEMBL22371415 0.81 HSPD1 (0.40) HDAC6TP53HPSEMAPTNPC1
SCHEMBL25997464 0.74 ITGB3 (0.39) ITGB3ITGA2BHDAC6TP53TAS1R3
SCHEMBL23453356 0.73 MAPT (0.41) HDAC6TP53MAPTNPC1RAB9A
SCHEMBL24240023 0.70 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL25997472 0.70 HPSE (0.49) TP53HPSEMAPTNPC1RAB9A
SCHEMBL24240040 0.70 MAPT (0.36) TP53MAPTNPC1RAB9A

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
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
US-20210155983-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2021-05-27 — — US disclosed
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