SCHEMBL8895848

SCHEMBL8895848

C[CH]C(=O)OC(CC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
LMNA P02545 4/20 0.41
KLK7 P49862 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MDM4 O15151 1/20 0.38
MAPT P10636 1/20 0.38
MDM2 Q00987 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALKBH1 Q13686 1/20 0.38
IGLV6-57 P01721 1/20 0.37
MMP8 P22894 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4A O75164 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3482702 0.88 HCAR2 (0.56) HCAR2LMNAKLK7KMT2APOLB
SCHEMBL3482805 0.88 HCAR2 (0.56) HCAR2LMNAKLK7KMT2APOLB
SCHEMBL8895124 0.87 HCAR2 (0.41) HCAR2LMNAPOLBPABPC1APOBEC3A
SCHEMBL1371364 0.85 THRB (0.41) HCAR2LMNAKLK7KMT2APOLB
SCHEMBL17844649 0.83 THRB (0.41) HCAR2LMNAKLK7KMT2APOLB
SCHEMBL27216283 0.83 HCAR2 (0.64) HCAR2LMNAPOLBMDM4MAPT
SCHEMBL3482700 0.83 HCAR2 (0.64) HCAR2LMNAPOLBMDM4MAPT
SCHEMBL3482642 0.83 HCAR2 (0.64) HCAR2LMNAPOLBMDM4MAPT
SCHEMBL27918036 0.83 HCAR2 (0.44) HCAR2LMNAKLK7KMT2APOLB
Sulfuric Acid SCHEMBL28055050 0.83 THRB (0.38) HCAR2LMNAKLK7KMT2APOLB

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed