SCHEMBL6933828

SCHEMBL6933828

CC(C)(C)N1N=C(c2ccn[nH]2)C(O)(O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 3/20 0.34
IDO1 P14902 1/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
SCN4A P35499 2/20 0.31
PDPK1 O15530 1/20 0.31
CYP4F2 P78329 2/20 0.30
CYP4A11 Q02928 2/20 0.30
LRRK2 Q5S007 1/20 0.30
CD74 P04233 1/20 0.30
MIF P14174 1/20 0.30
NOTUM Q6P988 1/20 0.30
NOS3 P29474 1/20 0.30

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
SCHEMBL6930205 0.81 COMT (0.40) COMTIDO1MAPTNPC1ALDH1A1
SCHEMBL6934256 0.77 COMT (0.38) COMTIDO1MAPTNPC1ALDH1A1
SCHEMBL6930288 0.77 MAPT (0.36) COMTIDO1MAPTNPC1ALDH1A1
SCHEMBL6935522 0.75 NPC1 (0.38) COMTMAPTNPC1ALDH1A1POLB
SCHEMBL6931535 0.73 OPRL1 (0.37) NPC1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL6935757 0.71 L3MBTL1 (0.39) MAPTALDH1A1SMN1; SMN2NOTUM
SCHEMBL7606154 0.69 COMT (0.37) COMTIDO1MAPTNPC1ALDH1A1
SCHEMBL6934098 0.69 HPGD (0.41) MAPTNPC1ALDH1A1POLBRAB9A
SCHEMBL6932452 0.69 TDP1 (0.34) MAPTNPC1ALDH1A1POLBRAB9A
SCHEMBL6933122 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US claimed
EP-0903342-B1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics OREAL (FR) 2003-12-17 EP disclosed
US-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US disclosed
EP-0903342-A1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics L'OREAL (FR) 1999-03-24 EP disclosed