SCHEMBL21234897

SCHEMBL21234897

CCc1ccc(NC(=O)C(CCCN)NC(=O)C(NC(=O)CCOCCOCCOCCOCCOCCOCCN)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 4/20 0.48
▸ KLKB1 P03952 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ PDF Q9HBH1 1/20 0.39
▸ CALCRL Q16602 1/20 0.38
▸ CHRNA1 P02708 1/20 0.38
▸ CHRNG P07510 1/20 0.38
▸ CHRNB1 P11230 1/20 0.38
▸ CHRND Q07001 1/20 0.38
▸ SSTR3 P32745 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HDAC4 P56524 2/20 0.36
▸ CTSL P07711 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL16946450 0.91 FURIN (0.42) FURINKLKB1HTTPDFCALCRL
SCHEMBL24297300 0.86 FURIN (0.46) FURINHTTCHRNA1CHRNGCHRNB1
SCHEMBL24297312 0.86 FURIN (0.46) FURINHTTCHRNA1CHRNGCHRNB1
SCHEMBL27447192 0.85 FURIN (0.39) FURINKLKB1HTTCHRNA1CHRNG
SCHEMBL24916488 0.85 FURIN (0.48) FURINHTTCHRNA1CHRNGCHRNB1
SCHEMBL22138596 0.85 FURIN (0.39) FURINKLKB1HTTCHRNA1CHRNG
SCHEMBL22138594 0.85 FURIN (0.39) FURINKLKB1HTTCHRNA1CHRNG
SCHEMBL20705515 0.85 FURIN (0.39) FURINKLKB1HTTCHRNA1CHRNG
SCHEMBL24296990 0.85 FURIN (0.40) FURINKLKB1HTTCHRNA1CHRNG
SCHEMBL22138373 0.84 FURIN (0.45) FURINHTTCHRNA1CHRNGCHRNB1

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
EP-3521292-A1 BIFUNCTIONAL CYTOTOXIC AGENTS Pfizer Inc (US) 2019-08-07 — — EP disclosed
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