SCHEMBL6630157

SCHEMBL6630157

CC(=O)n1cc(C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MAP2K1 Q02750 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL29951583 0.81 NOTUM (0.30) NOTUM
SCHEMBL23611618 0.77 NOTUM (0.33) NOTUMPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL15880060 0.70 NOTUM (0.47) NOTUMPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL6627411 0.69
SCHEMBL18612688 0.69
SCHEMBL1862167 0.67
SCHEMBL24890410 0.64 KMT2A (0.33)
SCHEMBL150348 0.63
Acetic Acid SCHEMBL28165166 0.58 FFAR3 (0.50) NOTUMPOLBALDH1A1SMN1; SMN2HPGD
Butanedione SCHEMBL19149843 0.58 TSHR (0.50) NOTUMPOLBALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 EP disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP disclosed
CN-1088209-A Heterogeneous ring compound WELLCOME FOUND (GB) 1994-06-22 CN disclosed