SCHEMBL11041869

SCHEMBL11041869

CC1C(C(=O)O)=C1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TPMT P51580 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL14580924 0.79
SCHEMBL7221870 0.76 KDM4E (0.54) KDM4ELMNAPOLBTDP1TP53
SCHEMBL29281031 0.74 KDM4E (0.37) KDM4ETSHRALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL16005167 0.74
SCHEMBL31303958 0.72 MAPT (0.31) KDM4ETP53HSD17B10
SCHEMBL16855688 0.70
SCHEMBL31296918 0.65 USP2 (0.31) USP2
SCHEMBL8094583 0.61 CYP2C19 (0.33) TDP1TP53TSHRALDH1A1HSD17B10
Mellitic Acid SCHEMBL23507 0.56 CYP1A2 (0.50) FFAR3LCKFYNKDM4ETP53
Mellitic Acid SCHEMBL22971 0.56 CYP1A2 (0.50) FFAR3LCKFYNKDM4ETP53

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-4457992-A CROSSLINKABLE RESIN BINDER ALLIED CORPORATION (US) 1984-07-03 US disclosed