SCHEMBL8948152

SCHEMBL8948152

CC(=O)C=CC1CCCO1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
MEN1 O00255 1/20 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
SCHEMBL18541691 1.00 KMT2A (0.33) KMT2APTPN2PTPN1MEN1
SCHEMBL9218046 0.96 KMT2A (0.32) KMT2APTPN2PTPN1
SCHEMBL31536564 0.94 PTPN2 (0.31) PTPN2PTPN1
SCHEMBL25766428 0.94 PTPN2 (0.31) PTPN2PTPN1
SCHEMBL31536677 0.82 UGT2B7 (0.34)
SCHEMBL156421 0.82 UGT2B7 (0.34)
SCHEMBL14861966 0.79 HCAR2 (0.41) KMT2AMEN1
SCHEMBL25766483 0.79 ALDH1A1 (0.35) KMT2A
SCHEMBL14861968 0.79 HCAR2 (0.41) KMT2AMEN1
SCHEMBL18269628 0.76 HTT (0.36)

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
US-5484949-A Method for the synthesis of α β-unsaturated ketones NIPPON SODA CO., LTD. (JP) 1996-01-16 US disclosed
EP-0454867-A1 A METHOD FOR THE SYNTHESIS OF -g(a), -g(b)-UNSATURATED KETONES. NIPPON SODA CO (JP) 1991-11-06 EP disclosed
WO-1991007370-A1 A METHOD FOR THE SYNTHESIS OF α, β-UNSATURATED KETONES NIPPON SODA CO., LTD. (JP) 1991-05-30 WO disclosed