SCHEMBL20116554

SCHEMBL20116554

C=C(C)/C=C(\C)C1CCCO1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.41
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RECQL P46063 1/20 0.32
HPGD P15428 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL5574453 0.79
SCHEMBL12060991 0.76
SCHEMBL13064286 0.76
SCHEMBL22332736 0.76
SCHEMBL4720982 0.71 NOS2 (0.52) NOS2MEN1KMT2ARECQLHPGD
SCHEMBL482622 0.71
SCHEMBL3946881 0.70
SCHEMBL17273203 0.70
SCHEMBL17067966 0.69
SCHEMBL18541708 0.67

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
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed