SCHEMBL4411769

SCHEMBL4411769

NC(=O)c1cc(CC2CCCCC2)no1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 3/20 0.40
HTR6 P50406 1/20 0.40
SCD O00767 1/20 0.40
CHEK2 O96017 1/20 0.39
ALDH1A1 P00352 4/20 0.38
PARP10 Q53GL7 3/20 0.37
PARP15 Q460N3 2/20 0.37
S1PR3 Q99500 3/20 0.36
RAB9A P51151 2/20 0.35
S1PR1 P21453 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4409353 0.79 RAB9A (0.41) SCDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5379544 0.74 SCD (0.46) SCDCHEK2ALDH1A1PARP10PARP15
SCHEMBL30489440 0.74 PSMB8 (0.50) SCDALDH1A1S1PR3RAB9AS1PR1
SCHEMBL21317604 0.74 PSMB8 (0.50) SCDALDH1A1S1PR3RAB9AS1PR1
SCHEMBL12467073 0.73 EPHX2 (0.40) F2RL1SCDRAB9ANPC1SMN1; SMN2
SCHEMBL15273772 0.73 SCD (0.36) SCDALDH1A1SMN1; SMN2
SCHEMBL5782512 0.73 RAB9A (0.37) HTR6ALDH1A1RAB9ANPC1TSHR
SCHEMBL2528074 0.70 PPARA (0.40) CHEK2ALDH1A1S1PR3RAB9AS1PR1
SCHEMBL4167072 0.70 CAPN1 (0.36) SCDALDH1A1RAB9ASMN1; SMN2
SCHEMBL25180195 0.69 LMNA (0.36) SCDALDH1A1

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
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