SCHEMBL31467341

SCHEMBL31467341

COC(=O)/C=C(\C#N)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
EGFR P00533 1/20 0.41
MAPK1 P28482 1/20 0.41
DHODH Q02127 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL23464797 0.91 SMN1; SMN2 (0.50) MAPTSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL6937689 0.91 SMN1; SMN2 (0.50) MAPTSMN1; SMN2ALDH1A1LMNAMAPK1
Ammonia Solution, Strong SCHEMBL28319007 0.89 SMN1; SMN2 (0.49) MAPTSMN1; SMN2ALDH1A1LMNAMAPK1
Ethane SCHEMBL28318998 0.89 SMN1; SMN2 (0.49) MAPTSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL21457687 0.86 CA1 (0.43) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL2581993 0.84 SMN1; SMN2 (0.52) MAPTSMN1; SMN2ALDH1A1DHODHRAB9A
SCHEMBL21457463 0.83 TDP1 (0.47) MAPTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL1041414 0.83 ESR1 (0.50) MAPTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL23465059 0.83 TDP1 (0.47) MAPTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL28615780 0.82 SMN1; SMN2 (0.46) MAPTSMN1; SMN2LMNAEGFRMAPK1

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
CN-119776295-A Olefin reductase, coding gene, vector, engineering bacteria and application thereof 浙江工业大学 2025-04-08 CN disclosed