SCHEMBL13756012

SCHEMBL13756012

CCCCCCCCCCCCCCNC(=O)CCN1CCCCN(CCC(=O)NC(C)CCCCCCCCCCCC)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.46
▸ CASP2 P42575 1/20 0.46
▸ NAAA Q02083 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ FPR3 P25089 2/20 0.42
▸ FPR2 P25090 2/20 0.42
▸ USP2 O75604 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41
▸ FAAH O00519 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TERT O14746 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ RAD52 P43351 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL17817099 0.85 KDM4E (0.62) KDM4EALDH1A1CASP2NAAAMAPT
SCHEMBL24412633 0.83 CASP2 (0.65) KDM4ECASP2NAAASMN1; SMN2TP53
SCHEMBL24412952 0.83 CASP2 (0.65) KDM4ECASP2NAAASMN1; SMN2TP53
SCHEMBL23442084 0.82 CASP2 (0.59) CASP2NAAAEPHX1NOD1FAAH
SCHEMBL23443054 0.82 CASP2 (0.59) CASP2NAAAEPHX1NOD1FAAH
SCHEMBL23442081 0.82 CASP2 (0.59) CASP2NAAAEPHX1NOD1FAAH
SCHEMBL23442902 0.82 CASP2 (0.59) CASP2NAAAEPHX1NOD1FAAH
SCHEMBL23442903 0.82 CASP2 (0.59) CASP2NAAAEPHX1NOD1FAAH
SCHEMBL23442089 0.82 CASP2 (0.59) CASP2NAAAEPHX1NOD1FAAH
SCHEMBL23442899 0.82 CASP2 (0.59) CASP2NAAAEPHX1NOD1FAAH

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
WO-2009097332-A2 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2009-08-06 — — WO disclosed
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