SCHEMBL27483639

SCHEMBL27483639

Cc1c(C(=O)O)ccc(CC2CCCC2)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 2/20 0.39
▸ KDM5A P29375 1/20 0.38
▸ RARB P10826 1/20 0.37
▸ CEL P19835 1/20 0.37
▸ PTGER4 P35408 1/20 0.36
▸ KDM4C Q9H3R0 2/20 0.36
▸ PPM1D O15297 1/20 0.36
▸ ASPH Q12797 1/20 0.35
▸ KDM8 Q8N371 1/20 0.35
▸ ACLY P53396 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL28175591 0.98 KDM5B (0.40) KDM5BKDM5ARARBCELPTGER4
SCHEMBL28850083 0.79 NOTUM (0.37) CELPTGER4KDM4CMCL1KDM4E
SCHEMBL27417962 0.77 GABRP (0.41) —
SCHEMBL28127936 0.75 METAP2 (0.40) PTGER4
SCHEMBL27385522 0.74 METAP2 (0.36) KDM4EHPGD
SCHEMBL27968107 0.74 CYP1A2 (0.37) KDM4EHPGD
SCHEMBL28126408 0.74 CYP1A2 (0.37) KDM4EHPGD
SCHEMBL27287111 0.74 GABRP (0.38) KDM4E
SCHEMBL27536275 0.74 DCLRE1B (0.45) —
SCHEMBL27535391 0.74 CYP1A2 (0.37) KDM4E

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
CN-1244575-C Sulfonylalkylamido hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 2006-03-08 — — CN disclosed
CN-1183767-A Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 1998-06-03 — — CN disclosed
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