SCHEMBL9409509

SCHEMBL9409509

CC(C)(C)OC(=O)N1CCC(C)(c2ccc(C(=O)O)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
USP30 Q70CQ3 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
SCD5 Q86SK9 1/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
HDAC2 Q92769 2/20 0.41
CYP11B2 P19099 1/20 0.41
ACACB O00763 2/20 0.41
HDAC1 Q13547 1/20 0.39

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
SCHEMBL27099790 0.88 TSHR (0.52) RORCUSP30GPR119SCD5TSHR
SCHEMBL9409426 0.88 PKM (0.48) RORCKMT2AMEN1TSHRALOX15
SCHEMBL30127217 0.86 NR1H2 (0.47) RORCKMT2AMEN1USP30SCD5
SCHEMBL31566836 0.83 CYP11B2 (0.47) RORCUSP30GPR119SCD5HDAC2
SCHEMBL23411856 0.82 GPR119 (0.55) KMT2AMEN1GPR119TSHRALOX15
Iodide SCHEMBL31566581 0.81 HDAC2 (0.41) RORCKMT2AMEN1USP30SCD5
SCHEMBL15961875 0.81 KMT2A (0.45) RORCKMT2AMEN1GPR119TSHR
SCHEMBL3246933 0.80 TSHR (0.57) RORCKMT2AMEN1USP30GPR119
SCHEMBL19459178 0.79 ESR2 (0.48) RORCKMT2AMEN1GPR119TSHR
SCHEMBL13608428 0.79 GPR119 (0.53) KMT2AMEN1GPR119TSHRALOX15

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
EP-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed