SCHEMBL280289

SCHEMBL280289

C[C@]1(I)CCC=C2C1CCC1[C@@]2(C)CCC[C@@]1(C)C=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NR1H3 Q13133 2/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PTGS1 P23219 2/20 0.31

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
SCHEMBL14286834 0.88 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL14112200 0.88 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL14260996 0.88 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL12887769 0.88 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL10219384 0.88 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL10219385 0.88 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL12522483 0.88 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL12522482 0.88 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL280149 0.84 NR1H3 (0.31) NR1H3
SCHEMBL6009546 0.83 KARS1 (0.38) KARS1MEN1TP53CYP3A4MAPT

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
US-8133915-B2 Interleukin-1 and tumor necrosis factor-α modulators; syntheses of such modulators and methods of using such modulators NEREUS PHARMACEUTICALS, INC. (US) 2012-03-13 — — US disclosed
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