SCHEMBL11399430

SCHEMBL11399430

CC1=CC(C)(C)Nc2ccc(CCCCCOOc3ccc4c(c3)C(C)=CC(C)(C)N4)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.55
▸ KDM4E B2RXH2 8/20 0.55
▸ MEN1 O00255 7/20 0.55
▸ KMT2A Q03164 7/20 0.55
▸ L3MBTL1 Q9Y468 5/20 0.55
▸ TDP1 Q9NUW8 4/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ ALDH1A1 P00352 10/20 0.54
▸ HPGD P15428 6/20 0.54
▸ GAA P10253 1/20 0.54
▸ LMNA P02545 10/20 0.54
▸ HSD17B10 Q99714 5/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ ALOX12 P18054 2/20 0.54
▸ HIF1A Q16665 1/20 0.54

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
SCHEMBL7073745 0.80 ALDH1A1 (0.69) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL7071614 0.80 ALDH1A1 (0.69) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL7069498 0.80 ALDH1A1 (0.69) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL97245 0.80 ALDH1A1 (0.69) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL7044150 0.80 ALDH1A1 (0.69) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL11161400 0.80 ALDH1A1 (0.76) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL11150477 0.80 ALDH1A1 (0.76) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL11161675 0.80 ALDH1A1 (0.76) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL11405935 0.80 ALDH1A1 (0.76) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1263211 0.79 ALDH1A1 (0.71) MAPTKDM4EMEN1KMT2AL3MBTL1

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-4244864-A OZONE RESISTANCE MONSANTO COMPANY (US) 1981-01-13 — — US disclosed
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