SCHEMBL6935089

SCHEMBL6935089

COc1cccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2(O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
GLP1R P43220 1/20 0.43
MAPT P10636 2/20 0.43
SCN9A Q15858 1/20 0.43
SLC16A3 O15427 1/20 0.42
SLC16A1 P53985 1/20 0.42
MCTS1 Q9ULC4 1/20 0.42
GRM5 P41594 1/20 0.41
ALDH1A3 P47895 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AMY1A P0DUB6 3/20 0.40
GSK3B P49841 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
STK10 O94804 1/20 0.40
SLK Q9H2G2 1/20 0.40

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
SCHEMBL6930303 0.92 LMNA (0.44) CYP3A4CYP2C9MAPTMEN1KMT2A
SCHEMBL6932694 0.91 MAPT (0.42) CYP3A4CYP2C9MAPTLMNANPSR1
SCHEMBL6933451 0.85 CNR1 (0.44) CNR1CYP3A4MAPTSCN9AMEN1
SCHEMBL6928225 0.85 CNR1 (0.44) CNR1CYP3A4MAPTSCN9AMEN1
SCHEMBL6931599 0.84 KMT2A (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8495131 0.84 ACHE (0.41) CYP3A4CYP2C9MAPTMEN1KMT2A
SCHEMBL6935197 0.81 KDM4E (0.40) CYP2C9MAPTSCN9AMEN1KMT2A
SCHEMBL6932816 0.80 CES2 (0.44) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6930299 0.79 BACE1 (0.49) CYP3A4CYP2C9LMNAGAA
SCHEMBL6935629 0.79 APP (0.49) MAPTMEN1KMT2AALDH1A1GAA

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 3 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 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