SCHEMBL7623970

SCHEMBL7623970

COC(=O)C(=CI)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 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
SCHEMBL7623956 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10POLBHTT
SCHEMBL15198115 0.82 ALDH1A1 (0.32) ALDH1A1HSD17B10POLBHTT
SCHEMBL8356139 0.77
SCHEMBL25887654 0.77 MEN1 (0.33) POLB
SCHEMBL29117784 0.76 SMN1; SMN2 (0.38) ALDH1A1HSD17B10POLB
SCHEMBL29163004 0.76 SMN1; SMN2 (0.38) ALDH1A1HSD17B10POLB
SCHEMBL27582705 0.75 SMN1; SMN2 (0.39) ALDH1A1POLB
SCHEMBL9852642 0.74 CES2 (0.41) ALDH1A1POLB
SCHEMBL9852643 0.74 CES2 (0.41) ALDH1A1POLB
SCHEMBL21722132 0.72 SMN1; SMN2 (0.36) ALDH1A1HSD17B10

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
EP-0847974-B1 Process for the preparation of cyclopropylacetylene and its derivatives KURARAY CO (JP) 2002-06-05 EP disclosed