SCHEMBL24663166

SCHEMBL24663166

C=C1[C@H]2[C@@H](C(=O)N1CCO)[C@@H]1C=C[C@H]2C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.64
TSHR P16473 2/20 0.64
USP2 O75604 2/20 0.64
HSD17B10 Q99714 2/20 0.64
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
RAB9A P51151 2/20 0.56
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
PKM P14618 1/20 0.46
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL19387118 0.88 HTT (0.80) HTTTSHRUSP2HSD17B10ALDH1A1
SCHEMBL22279732 0.88 HTT (0.80) HTTTSHRUSP2HSD17B10ALDH1A1
SCHEMBL15967718 0.88 HTT (0.80) HTTTSHRUSP2HSD17B10ALDH1A1
SCHEMBL15289758 0.88 HTT (0.80) HTTTSHRUSP2HSD17B10ALDH1A1
SCHEMBL10731583 0.88 HTT (0.80) HTTTSHRUSP2HSD17B10ALDH1A1
SCHEMBL20022939 0.80 ALDH1A1 (0.56) HTTTSHRUSP2HSD17B10ALDH1A1
SCHEMBL20022945 0.80 ALDH1A1 (0.56) HTTTSHRUSP2HSD17B10ALDH1A1
SCHEMBL15958848 0.78 HTT (1.00) HTTTSHRUSP2HSD17B10ALDH1A1
SCHEMBL597717 0.78 HTT (1.00) HTTTSHRUSP2HSD17B10ALDH1A1
SCHEMBL10731869 0.77 HTT (0.68) HTTTSHRUSP2HSD17B10ALDH1A1

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-2022216628-A1 CYCLIC RUTHENIUM BENZYLIDENE INITIATORS FOR ENHANCED RING‑EXPANSION METATHESIS POLYMERIZATION UNIVERSITY OF WASHINGTON (US) 2022-10-13 WO disclosed