SCHEMBL31190050

SCHEMBL31190050

C=C(C)CC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.62
FEN1 P39748 1/20 0.62
HAO1 Q9UJM8 1/20 0.62
MAPT P10636 7/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 4/20 0.61
USP2 O75604 1/20 0.61
HPGD P15428 3/20 0.58
PTPN1 P18031 1/20 0.56
GSK3B P49841 1/20 0.56
RAB9A P51151 4/20 0.55
LMNA P02545 2/20 0.55
FFAR1 O14842 1/20 0.55
CYP1A2 P05177 1/20 0.55
HIF1A Q16665 1/20 0.55
AGTR1 P30556 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52

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
SCHEMBL487605 0.88 KMT2A (0.67) ERCC5FEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL800972 0.85 ERCC5 (0.67) ERCC5FEN1HAO1MAPTSMN1; SMN2
SCHEMBL27182280 0.84 ERCC5 (0.77) ERCC5FEN1HAO1MAPTSMN1; SMN2
SCHEMBL10789985 0.82 SMN1; SMN2 (0.77) ERCC5FEN1HAO1MAPTSMN1; SMN2
Phenol SCHEMBL30853590 0.81 MAPT (0.57) ERCC5FEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL11707718 0.81 HAO1 (0.68) ERCC5FEN1HAO1MAPTSMN1; SMN2
SCHEMBL8532726 0.80 ERCC5 (0.71) ERCC5FEN1HAO1MAPTSMN1; SMN2
SCHEMBL28662327 0.79 SMN1; SMN2 (0.64) ERCC5FEN1HAO1MAPTSMN1; SMN2
SCHEMBL3821582 0.78 ERCC5 (0.62) ERCC5FEN1HAO1MAPTSMN1; SMN2
SCHEMBL29145596 0.77 SMN1; SMN2 (0.56) ERCC5FEN1HAO1MAPTSMN1; SMN2

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-118908796-A Preparation method of allyl alcohol compound 浙江广厦建设职业技术大学 2024-11-08 CN disclosed