SCHEMBL7715916

SCHEMBL7715916

CC(C)(C)C(OC(=O)CC(=O)O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
CYP2D6 P10635 2/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
TSHR P16473 2/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CTSK P43235 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
SCHEMBL7715912 0.88 MGAM (0.36) CYP2D6MMP1MMP2MMP3MMP9
SCHEMBL28218296 0.83
SCHEMBL6429919 0.80 MMP1 (0.35) LDHASRRCYP2D6MMP1MMP2
SCHEMBL22615652 0.79 TET2 (0.38) CYP2D6
SCHEMBL21273757 0.78 MMP1 (0.34) LDHASRRCYP2D6MMP1MMP2
SCHEMBL28727605 0.78 MMP1 (0.34) LDHASRRCYP2D6MMP1MMP2
SCHEMBL22615680 0.75 PAM (0.30)
SCHEMBL22615833 0.74 TRPA1 (0.41) CYP2C19
SCHEMBL5859547 0.74 MMP1 (0.38) LDHASRRCYP2D6MMP1MMP2
SCHEMBL5888017 0.74 MEN1 (0.33) LDHASRRCYP2D6TSHRHMGCR

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-6376632-B1 NORBORNENE COMPOUND CONTAINING CARBOXY GROUPS HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-04-23 US claimed