SCHEMBL31746641

SCHEMBL31746641

CC(C)(C)OC(=O)NCCCCCCCCn1ncc2cc(C(=O)O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.52
▸ STING1 Q86WV6 5/20 0.46
▸ PLA2G4A P47712 1/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL24376372 0.92 BRD4 (0.48) BRD4STING1PLA2G4AITGB3ITGAV
SCHEMBL31746501 0.91 BRD4 (0.51) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL31746582 0.91 STING1 (0.55) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL18918040 0.87 BRD4 (0.50) BRD4STING1ITGB3ITGAV
SCHEMBL18926990 0.83 BRD4 (0.48) BRD4STING1
SCHEMBL26910983 0.82 BRD4 (0.47) BRD4STING1ITGB3ITGAV
SCHEMBL31173833 0.79 BRD4 (0.51) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL31169525 0.79 BRD4 (0.51) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL31294757 0.79 GLS (0.55) BRD4STING1
SCHEMBL29155051 0.78 BRD4 (0.57) BRD4STING1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025262295-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 DARK BLUE THERAPEUTICS LTD (GB) 2025-12-26 — — WO disclosed
EP-4667466-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 Dark Blue Therapeutics Ltd (GB) 2025-12-24 — — EP disclosed
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