SCHEMBL7265384

SCHEMBL7265384

CC(C)(CBr)OC(=O)NCC(=O)CCC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
EPHX1 P07099 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CTSK P43235 2/20 0.34
CTSS P25774 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD11B1 P28845 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL9822530 0.86 EPHX1 (0.50) HPGDEPHX1MEN1MAPTKMT2A
SCHEMBL10521561 0.74 MEN1 (0.33) MEN1KMT2A
SCHEMBL11460238 0.69 HPGD (0.50) HPGDEPHX1MEN1MAPTKMT2A
SCHEMBL24363715 0.68 HPGD (0.59) HPGDEPHX1MAPTALDH1A1HSD17B10
SCHEMBL11670009 0.68 HPGD (0.57) HPGDEPHX1MEN1MAPTKMT2A
SCHEMBL15355129 0.68 MEN1 (0.50) HPGDEPHX1MEN1MAPTKMT2A
SCHEMBL6799750 0.67 EPHX1 (0.63) EPHX1MEN1KMT2AALDH1A1CTSK
SCHEMBL28208913 0.66 ALDH1A1 (0.49) HPGDEPHX1MEN1MAPTKMT2A
SCHEMBL9850876 0.66 SOAT1 (0.42) HPGDEPHX1
SCHEMBL27940250 0.66 HPGD (0.54) HPGDEPHX1MEN1MAPTKMT2A

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
EP-0309841-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1989-04-05 EP disclosed
EP-0264795-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-04-27 EP disclosed