SCHEMBL11569592

SCHEMBL11569592

C1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(=O)NOCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.46
GAA P10253 1/20 0.44
BTK Q06187 1/20 0.42
ALDH1A1 P00352 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL8374138 0.84 MEN1 (0.39) GAACTSSCTSKMAOB
SCHEMBL8182814 0.79 EPHX1 (0.58) EPHX1GAABTKALDH1A1HDAC4
SCHEMBL19406683 0.75 MEN1 (0.35) GAACTSSCTSKMAOB
SCHEMBL31465488 0.74 EPHX1 (0.56) EPHX1GAABTKHDAC4HDAC1
SCHEMBL999662 0.73 GAA (0.60) EPHX1GAABTKHDAC4HDAC1
SCHEMBL3486013 0.72 ALDH1A1 (0.47) ALDH1A1THRBMAOBEPHX2
SCHEMBL5490052 0.72 ALDH1A1 (0.47) ALDH1A1THRBMAOBEPHX2
SCHEMBL992117 0.72 ALDH1A1 (0.47) ALDH1A1THRBMAOBEPHX2
SCHEMBL18788521 0.72 EPHX1 (0.54) EPHX1GAABTKHDAC4HDAC1
SCHEMBL1505210 0.72 EPHX1 (0.54) EPHX1GAABTKHDAC4HDAC1

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
US-4172130-A α-AMINOACYL CONTAINING NEW PEPTIDES WITH GASTRIN EFFECTS AND A PROCESS FOR THE PREPARATION THEREOF RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1979-10-23 US disclosed