SCHEMBL4409353

SCHEMBL4409353

NC(=O)c1cc(CC2CCCO2)no1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.41
SCD O00767 1/20 0.41
MCL1 Q07820 1/20 0.40
NPC1 O15118 5/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL4411769 0.79 F2RL1 (0.40) RAB9ASCDNPC1SMN1; SMN2ALDH1A1
SCHEMBL4152975 0.72 KDM4C (0.50) RAB9ASCDNPC1KMT2AMEN1
SCHEMBL12467073 0.71 EPHX2 (0.40) RAB9ASCDNPC1KMT2ASMN1; SMN2
SCHEMBL15273772 0.71 SCD (0.36) SCDLMNASMN1; SMN2ALDH1A1
SCHEMBL30445344 0.70 IRAK4 (0.38) SCD
SCHEMBL4763827 0.69 PARP1 (0.54) NPC1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL4167072 0.68 CAPN1 (0.36) RAB9ASCDLMNASMN1; SMN2ALDH1A1
SCHEMBL2528074 0.68 PPARA (0.40) RAB9ANPC1LMNAKMT2AMEN1
SCHEMBL13729594 0.68 OPRM1 (0.47) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3330917 0.68 PARP1 (0.50) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed