SCHEMBL11583203

SCHEMBL11583203

CCC1=CC(C)(CC)Nc2ccc(OC)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ HPGD P15428 4/20 0.45
▸ LMNA P02545 4/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ ALOX12 P18054 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPT P10636 6/20 0.43
▸ GAA P10253 6/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ HTT P42858 3/20 0.41

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
SCHEMBL11581629 0.87 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL27963570 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL26816407 0.79 KDM4E (0.55) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL31489987 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11453544 0.74 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11153748 0.74 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11158499 0.74 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11164954 0.72 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL27963634 0.72 KDM4E (0.41) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11347937 0.71 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EHPGD

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
US-4087561-A Control of nitrosamine formation in nitride cured meat with 1,2,3,4-tetrahydro-quinoline compounds CANADA PACKERS LIMITED (CA) 1978-05-02 — — US disclosed
US-4079153-A SUPPRESSING FORMATION OF NITROSAMINES BY INTRODUCING A 1,2-DIHYDROQUINOLINE INTO MEAT LEVER BROTHERS COMPANY (US) 1978-03-14 — — US disclosed
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