SCHEMBL14747772

SCHEMBL14747772

C=C(C(=O)OCC)c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.40
XPO1 O14980 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL27397739 0.83 LMNA (0.55) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9141441 0.82 MAPT (0.54) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2529911 0.81 CES2 (0.56) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL8894645 0.79 CES2 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5059081 0.79 MAPT (0.55) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11815805 0.78 TSHR (0.44) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL1202702 0.77 CA12 (0.62) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11815157 0.77 MAPT (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11270791 0.76 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL25398382 0.76 MAPT (0.41) MAPTALDH1A1LMNAMEN1KMT2A

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-108864374-A A kind of preparation method of the high water-retaining type polycarboxylate water-reducer of ethers 科之杰新材料集团有限公司 2018-11-23 CN claimed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed