SCHEMBL14162121

SCHEMBL14162121

CC(C)(C)OC(=O)NC1(C(=O)Nc2ccccc2O)CCN(O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.42
FAAH O00519 3/20 0.38
LMNA P02545 4/20 0.36
GAA P10253 3/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
POLB P06746 2/20 0.36
HDAC1 Q13547 1/20 0.35
EPHX2 P34913 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
STAT3 P40763 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 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
SCHEMBL3489715 0.89 TSHR (0.44) GHSRHDAC1EPHX2MAPK1
SCHEMBL8346749 0.79 GHSR (0.47) GHSRFAAHLMNANPC1TP53
SCHEMBL13403081 0.77 HDAC1 (0.45) GHSRHDAC1
SCHEMBL8344329 0.76 KMT2A (0.50) GHSRFAAHNPC1TP53MEN1
SCHEMBL8345080 0.75 MEN1 (0.52) GHSRFAAHMEN1KMT2AP2RX7
SCHEMBL142826 0.74 GHSR (0.39) GHSRFAAHMAPTRAB9A
SCHEMBL146430 0.74 GHSR (0.41) GHSRFAAHRAB9A
SCHEMBL2940952 0.74 GAA (0.51) LMNAGAAHTTMAPTNPC1
SCHEMBL8345284 0.74 L3MBTL1 (0.55) FAAHSMN1; SMN2KMT2AMAPK1TRPV1
SCHEMBL8345466 0.74 FAAH (0.47) GHSRFAAHPOLBMEN1KMT2A

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-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed