SCHEMBL8159372

SCHEMBL8159372

CC#C[C@H]1[C@H](C(=O)OCC)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 5/20 0.35
TP53 P04637 1/20 0.33
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 2/20 0.31
CACNA1C Q13936 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
SCHEMBL8159369 1.00 LMNA (0.47) LMNAALDH1A1TP53TSHRHTT
SCHEMBL8081928 1.00 LMNA (0.47) LMNAALDH1A1TP53TSHRHTT
SCHEMBL29246850 1.00 LMNA (0.47) LMNAALDH1A1TP53TSHRHTT
SCHEMBL9560007 0.84 LMNA (0.46) LMNAALDH1A1TP53TSHRHTT
SCHEMBL30084103 0.84 LMNA (0.46) LMNAALDH1A1TP53TSHRHTT
SCHEMBL30084108 0.84 LMNA (0.46) LMNAALDH1A1TP53TSHRHTT
SCHEMBL10991428 0.80 LMNA (0.43) LMNAALDH1A1TP53CACNA1C
SCHEMBL11052010 0.80 LMNA (0.49) LMNAALDH1A1TP53TSHRHTT
SCHEMBL29246833 0.79 GBA1 (0.30)
SCHEMBL15978554 0.79 GBA1 (0.30)

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
US-6072074-A Process for producing 3-propynyl-2-2-dimethylcycloprophane-carboxylic acid and its lower akyl esters SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2000-06-06 US disclosed
EP-0955287-A1 Propynyl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-10 EP disclosed