SCHEMBL8890210

SCHEMBL8890210

CCC(C)[C@H](NCc1ccc(C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.48
NR1H4 Q96RI1 8/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
ESRRG P62508 1/20 0.43
MAPK1 P28482 1/20 0.43
ANPEP P15144 1/20 0.42

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
SCHEMBL8890216 1.00 EPHX2 (0.48) EPHX2NR1H4MEN1KMT2AATM
SCHEMBL18782332 0.83 ANPEP (0.57) MEN1KMT2AATMCYP2C19ANPEP
SCHEMBL5658127 0.83 ANPEP (0.57) MEN1KMT2AATMCYP2C19ANPEP
SCHEMBL8069933 0.83 ANPEP (0.57) MEN1KMT2AATMCYP2C19ANPEP
SCHEMBL5658130 0.83 ANPEP (0.57) MEN1KMT2AATMCYP2C19ANPEP
SCHEMBL5191620 0.82 FPR2 (0.59) MEN1KMT2AATMMAPK1ANPEP
SCHEMBL6236404 0.81 EPHX2 (0.53) EPHX2NR1H4MEN1KMT2ALMNA
SCHEMBL30308310 0.79 LDHA (0.51) MEN1KMT2AATMRAB9ACYP2C19
SCHEMBL29788433 0.79 GAA (0.49) MEN1KMT2AATMLMNAMAPK1
SCHEMBL7371090 0.77 CTSK (0.49) EPHX2NR1H4LMNARAB9AHDAC3

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-1997005126-A1 MUPIROCINSULFAMATES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-02-13 WO disclosed