SCHEMBL11740552

SCHEMBL11740552

C=CCC(C)(C=C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL11743781 0.82 MAPK1 (0.37) MAPTDGAT1ALDH1A1MMP1MMP9
SCHEMBL18691994 0.82 CTSK (0.32) MAPTDGAT1ALDH1A1LMNA
SCHEMBL27163495 0.81 DGAT1 (0.35) MAPTPOLBDGAT1ALDH1A1LMNA
SCHEMBL16837735 0.81 ALDH1A1 (0.36) MAPTDGAT1ALDH1A1LMNATSHR
SCHEMBL27412775 0.80 MAPT (0.41) MAPTCYP2C19POLBTDP1DGAT1
Ammonia Solution, Strong SCHEMBL16982684 0.78 MAPT (0.40) MAPTCYP2C19POLBTDP1DGAT1
SCHEMBL631049 0.78 CYP2C19 (0.38) MAPTCYP2C19POLBTDP1DGAT1
SCHEMBL3181055 0.78 CYP2C19 (0.38) MAPTCYP2C19POLBTDP1DGAT1
SCHEMBL24118570 0.78 DGAT1 (0.33) MAPTDGAT1
SCHEMBL28709492 0.78 LMNA (0.33) MAPTTDP1DGAT1ALDH1A1LMNA

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
US-4064150-A SELECTIVE GAMMA-ALKYLATION OF ALPHA,BETA-UNSATURATED ACIDS WITH ALLYLIC ELECTROPHILES, DICOPPER(I) DIENOLATES UNIVERSITY OF ILLINOIS FOUNDATION (US) 1977-12-20 US disclosed