SCHEMBL6930686

SCHEMBL6930686

CN1N=C(c2ccccc2)C(O)(O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.40
BACE2 Q9Y5Z0 4/20 0.40
REN P00797 1/20 0.40
APP P05067 1/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.37
CES2 O00748 1/20 0.36
OPRL1 P41146 2/20 0.36
OPRM1 P35372 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
CTSD P07339 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
COMT P21964 1/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL6933471 0.84 ALDH1A1 (0.33) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6931200 0.84 BACE1 (0.38) BACE1BACE2SMN1; SMN2ALDH1A1CTSD
SCHEMBL6933153 0.80 KMT2A (0.42) BACE1BACE2APPRAB9ASMN1; SMN2
SCHEMBL6930299 0.79 BACE1 (0.49) BACE1BACE2CTSDGAALMNA
SCHEMBL6933627 0.78 PDE4A (0.41) RAB9ASMN1; SMN2ALDH1A1OPRL1OPRM1
SCHEMBL6931535 0.78 OPRL1 (0.37) BACE1RAB9ASMN1; SMN2ALDH1A1OPRL1
SCHEMBL6931466 0.77 SMN1; SMN2 (0.41) APPRAB9ASMN1; SMN2ALDH1A1CES2
SCHEMBL17290478 0.77 BACE1 (0.39) BACE1BACE2RENAPPRAB9A
SCHEMBL17290905 0.77 BACE1 (0.42) BACE1BACE2RENAPPALDH1A1
SCHEMBL17291123 0.77 BACE1 (0.39) BACE1BACE2RENAPPRAB9A

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-0903342-B1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics OREAL (FR) 2003-12-17 EP claimed
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