SCHEMBL9750990

SCHEMBL9750990

CC=C(Nc1ccccc1)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ GAA P10253 3/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CYP19A1 P11511 2/20 0.49
▸ DHODH Q02127 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA9 Q16790 1/20 0.48

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
SCHEMBL3631341 1.00 MAPT (0.55) MAPTGAATDP1MEN1KMT2A
SCHEMBL8581102 0.86 MAPT (0.51) MAPTGAATDP1MEN1KMT2A
SCHEMBL9352801 0.86 MAPT (0.51) MAPTGAATDP1MEN1KMT2A
SCHEMBL9352794 0.86 MAPT (0.51) MAPTGAATDP1MEN1KMT2A
SCHEMBL20654366 0.83 MAPT (0.49) MAPTGAATDP1MEN1KMT2A
SCHEMBL7743408 0.81 HTT (0.48) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL2488639 0.81 MAPT (0.70) MAPTGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL13381411 0.81 ALDH1A1 (0.56) MAPTGAATDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL7020139 0.79 MAPT (0.68) MAPTGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL20001619 0.79 MAPT (0.45) MAPTGAATDP1MEN1KMT2A

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-5055484-A Anticholesterol and antilipemic agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 — — US disclosed
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