SCHEMBL11068064

SCHEMBL11068064

C=CCc1cc(C(OC(=O)C=C)c2cc(CC=C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
BLM P54132 2/20 0.38
ATM Q13315 2/20 0.38
HIF1A Q16665 2/20 0.38
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
HMGCR P04035 2/20 0.35
LMNA P02545 2/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
GMNN O75496 1/20 0.33

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
SCHEMBL6449227 0.86 GAA (0.46) GAAALDH1A1TSHRKMT2ANPSR1
SCHEMBL10622475 0.81 CYP3A4 (0.45) GAAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL466169 0.81 SMN1; SMN2 (0.47) GAAALDH1A1TSHRKMT2ANPSR1
SCHEMBL463408 0.77 ALDH1A1 (0.53) GAAALDH1A1TSHRKMT2ANPSR1
Propionic Acid SCHEMBL17825585 0.74 GAA (0.48) GAAALDH1A1TSHRKMT2ANPSR1
SCHEMBL11068059 0.73 HSPA5 (0.47) GAAALDH1A1TSHRKMT2ANPSR1
Acrylic Acid SCHEMBL11068068 0.72 HSPA5 (0.55) GAAALDH1A1TSHRKMT2ANPSR1
SCHEMBL26328615 0.72 HSPA5 (0.58) GAAALDH1A1TSHRKMT2ANPSR1
SCHEMBL1598616 0.71 HSPA5 (0.53) GAAALDH1A1TSHRKMT2ANPSR1
SCHEMBL28179323 0.71 ALDH1A1 (0.52) GAAALDH1A1TSHRKMT2ANPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59071341-A None JP disclosed
JP-S5971341-A STABILIZER FOR SYNTHETIC RESIN SUMITOMO CHEM CO LTD 1984-04-23 JP disclosed
JP-S05971341-A 0001-01-01 JP disclosed