SCHEMBL30380928

SCHEMBL30380928

COc1ccc(C=CC(=O)O)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.61
CYP1A1 P04798 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP1B1 Q16678 1/20 0.58
THRB P10828 1/20 0.56
ATM Q13315 1/20 0.56
CA12 O43570 4/20 0.55
CA9 Q16790 4/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 1/20 0.52
MAOB P27338 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
JUN P05412 1/20 0.50

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
SCHEMBL15239140 1.00 MIF (0.61) MIFCYP1A1CYP1A2CYP1B1THRB
SCHEMBL1920580 1.00 MIF (0.61) MIFCYP1A1CYP1A2CYP1B1THRB
SCHEMBL1920579 1.00 MIF (0.61) MIFCYP1A1CYP1A2CYP1B1THRB
SCHEMBL2943901 0.87 ATM (0.56) MIFTHRBATMMAPTALDH1A1
SCHEMBL2943902 0.87 ATM (0.56) MIFTHRBATMMAPTALDH1A1
SCHEMBL29090933 0.87 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1CA12CA9
SCHEMBL19972316 0.86 CA12 (0.57) CYP1A1CYP1A2CYP1B1CA12CA9
SCHEMBL14272842 0.86 CA12 (0.57) CYP1A1CYP1A2CYP1B1CA12CA9
SCHEMBL22398305 0.86 CA12 (0.57) CYP1A1CYP1A2CYP1B1CA12CA9
SCHEMBL30632936 0.86 CA12 (0.57) CYP1A1CYP1A2CYP1B1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115321908-B High-performance concrete based on high-quality machine-made sand and preparation method thereof 河南金诺混凝土有限公司 2023-05-16 CN claimed
CN-115321908-B High-performance concrete based on high-quality machine-made sand and preparation method thereof 河南金诺混凝土有限公司 2023-05-16 CN disclosed