SCHEMBL11822033

SCHEMBL11822033

CCC(=NOCc1ccccc1)C1=C(OC(=O)c2ccccc2)CC(C)(C)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HPD P32754 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ CXCR2 P25025 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34

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
SCHEMBL11822027 1.00 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2HPDKMT2A
SCHEMBL11822473 0.91 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11822466 0.91 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11818841 0.87 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11818849 0.87 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11829077 0.87 KMT2A (0.42) ALDH1A1MAPTSMN1; SMN2KMT2ATDP1
SCHEMBL11829087 0.87 KMT2A (0.42) ALDH1A1MAPTSMN1; SMN2KMT2ATDP1
SCHEMBL11820295 0.82 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2KMT2ANPSR1
SCHEMBL11820301 0.82 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2KMT2ANPSR1
SCHEMBL11829512 0.79 KMT2A (0.41) ALDH1A1MAPTSMN1; SMN2KMT2ATDP1

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-3989737-A HERBICIDES NIPPON SODA COMPANY LIMITED (JA) 1976-11-02 — — US disclosed
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