SCHEMBL8096813

SCHEMBL8096813

Cc1cc(NC(C)C)ccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 2/20 0.41
TYR P14679 2/20 0.41
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GRIA1 P42261 1/20 0.34
GRIA2 P42262 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
SCHEMBL9513873 0.79 TYR (0.34) ALDH1A1TSHRTYRNPC1PKM
SCHEMBL2766868 0.79 ALDH1A1 (0.45) ALDH1A1TSHRTYRNPC1PKM
SCHEMBL9818635 0.78 CA12 (0.51) ALDH1A1TSHRTYRNPC1PKM
SCHEMBL9911537 0.77 ITGB3 (0.48) ALDH1A1PKMSMN1; SMN2RXFP1KDM4E
SCHEMBL377917 0.76 ALDH1A1 (0.54) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL29958034 0.76 ALDH1A1 (0.54) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL13781474 0.76 ERN1 (0.47) TYRERN1
SCHEMBL5299443 0.76 TDP1 (0.46) ALDH1A1TSHRNPC1RAB9ATDP1
SCHEMBL6554556 0.74 ALDH1A1 (0.41) ALDH1A1TSHRTYRNPC1PKM
SCHEMBL11832958 0.74 ALDH1A1 (0.35) ALDH1A1TYRL3MBTL1HPGD

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-6124503-A Processes for making and using alkylaminoarylcarbonyl compounds EASTMAN KODAK COMPANY (US) 2000-09-26 US disclosed