SCHEMBL11154652

SCHEMBL11154652

CC1=CC(C)(C)Nc2ccc(OCCOc3ccc4c(c3)C(C)=CC(C)(C)N4)cc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.81
KDM4E B2RXH2 9/20 0.81
HPGD P15428 8/20 0.81
LMNA P02545 8/20 0.81
HSD17B10 Q99714 7/20 0.81
MEN1 O00255 6/20 0.81
KMT2A Q03164 6/20 0.81
TDP1 Q9NUW8 4/20 0.81
CYP3A4 P08684 3/20 0.81
CYP1A2 P05177 2/20 0.81
CYP2D6 P10635 2/20 0.81
CYP2C9 P11712 2/20 0.81
CYP2C19 P33261 2/20 0.81
ALOX15 P16050 1/20 0.81
ALOX12 P18054 1/20 0.81
HIF1A Q16665 1/20 0.81
MAPT P10636 12/20 0.61
L3MBTL1 Q9Y468 4/20 0.60
MAPK1 P28482 1/20 0.60
GAA P10253 1/20 0.59

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
SCHEMBL11349869 0.95 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL11154897 0.95 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL11161400 0.94 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL11161675 0.94 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL11405935 0.94 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL11150477 0.94 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL11408033 0.93 ALDH1A1 (0.79) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL7068925 0.93 ALDH1A1 (0.79) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL11157939 0.91 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL7074003 0.90 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024816-A1 6-Oxy-2,2,4-trialkyl-1,2-dihydroquinoline derivatives and diene rubber compositions containing them MONSANTO COMPANY (US) 1981-03-11 EP claimed
US-4244864-A OZONE RESISTANCE MONSANTO COMPANY (US) 1981-01-13 US claimed
EP-0024816-B1 6-OXY-2,2,4-TRIALKYL-1,2-DIHYDROQUINOLINE DERIVATIVES AND DIENE RUBBER COMPOSITIONS CONTAINING THEM MONSANTO COMPANY (US) 1983-02-23 EP disclosed
EP-0024816-A1 6-Oxy-2,2,4-trialkyl-1,2-dihydroquinoline derivatives and diene rubber compositions containing them MONSANTO COMPANY (US) 1981-03-11 EP disclosed
US-4244864-A OZONE RESISTANCE MONSANTO COMPANY (US) 1981-01-13 US disclosed