SCHEMBL19254595

SCHEMBL19254595

CCCC(C)(CC)c1cccc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SLC7A5 Q01650 1/20 0.41
CNR2 P34972 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
ACHE P22303 1/20 0.40
MDH1 P40925 2/20 0.40
MDH2 P40926 2/20 0.40

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
SCHEMBL18517387 0.85 CNR2 (0.53) LOXL2CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL19254961 0.84 KIF11 (0.45) ALDH1A1POLBRAB9ATAS1R3TAS1R1
SCHEMBL1787753 0.82 LOXL2 (0.51) LOXL2CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL19177191 0.82 MAPT (0.50) LOXL2TSHRALDH1A1POLBRAB9A
SCHEMBL14817359 0.79 LOXL2 (0.43) LOXL2CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL1787501 0.78 ACHE (0.59) LOXL2CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL2892597 0.78 TSHR (0.53) LOXL2CYP4F2CYP4A11TSHRALDH1A1
Butane SCHEMBL27366277 0.78 ALDH1A1 (0.62) LOXL2ALDH1A1POLBTAS1R3TAS1R1
SCHEMBL548002 0.77 TSHR (0.52) LOXL2CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL18717451 0.76 CYP4F2 (0.58) LOXL2CYP4F2CYP4A11TSHRALDH1A1

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-9732078-B2 Therapeutic use of imidazopyridine derivatives SANOFI (FR) 2017-08-15 US disclosed