SCHEMBL7307570

SCHEMBL7307570

CC(C)C[C@H](N)C(=O)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.56
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
CYP3A4 P08684 1/20 0.44
EPHX2 P34913 1/20 0.44
ARG1 P05089 2/20 0.44
ARG2 P78540 2/20 0.44
LMNA P02545 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL13995144 0.98 EPHX1 (0.53) EPHX1ATMMEN1TSHRKMT2A
SCHEMBL7375831 0.95 EPHX1 (0.49) EPHX1ATMMEN1TSHRKMT2A
SCHEMBL7375829 0.95 EPHX1 (0.49) EPHX1ATMMEN1TSHRKMT2A
SCHEMBL7373390 0.91 SLC7A5 (0.47) EPHX1KMT2ARAB9ASMN1; SMN2GAA
SCHEMBL7373388 0.91 SLC7A5 (0.47) EPHX1KMT2ARAB9ASMN1; SMN2GAA
SCHEMBL4078143 0.85 ARG1 (0.47) EPHX1MEN1TSHRKMT2ARAB9A
SCHEMBL17152290 0.83 ARG1 (0.42) EPHX1MEN1TSHRKMT2AARG1
SCHEMBL17152645 0.83 CCR1 (0.55) EPHX1SMN1; SMN2GAAKDM4E
SCHEMBL21671294 0.83 CTSK (0.43) EPHX1ATMMEN1TSHRKMT2A
SCHEMBL21671135 0.83 CTSK (0.43) EPHX1ATMMEN1TSHRKMT2A

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
US-5214056-A Thiol protease inhibitors JAPAN TOBACCO INC. (JP) 1993-05-25 US disclosed
EP-0460239-A1 1,3,2-DIOXATHIOLANE OXIDE DERIVATIVE Japan Tobacco Inc. (JP) 1991-12-11 EP disclosed