SCHEMBL7575320

SCHEMBL7575320

COC(=O)N1C(C)(C)C=CCC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 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
SCHEMBL6045009 0.69 CYP3A4 (0.42) MAPK1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL8852955 0.66 CYP3A4 (0.44) MAPK1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL13884429 0.66 CYP3A4 (0.35) MAPK1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL320235 0.65
SCHEMBL320236 0.65 GAA (0.30)
SCHEMBL30511981 0.64 MAPK1 (0.40) MAPK1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL15139350 0.64 CYP3A4 (0.40) MAPK1CYP3A4SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL4555681 0.63
SCHEMBL3656333 0.63 TDP1 (0.44) MAPK1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL18306966 0.63 CYP3A4 (0.39) MAPK1CYP3A4SMN1; SMN2MEN1KMT2A

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-1235885-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH Uniroyal Chemical Company, Inc. (US) 2002-09-04 EP claimed
WO-2001040404-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-06-07 WO claimed