SCHEMBL6935385

SCHEMBL6935385

CCCCCCCCN1N=C(c2ccc(Cl)cc2)C(O)(O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
SMPD1 P17405 1/20 0.41
ENPP2 Q13822 1/20 0.41
GAA P10253 1/20 0.40
TLR8 Q9NR97 1/20 0.40
CNR1 P21554 1/20 0.38
MAPT P10636 1/20 0.38
PLA2G2A P14555 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6936097 0.87 KDM4E (0.45) KDM4EHTTSMPD1TLR8MAPT
SCHEMBL6934383 0.85 SMPD1 (0.43) ALDH1A1SMPD1TLR8CNR1MAPT
SCHEMBL6934809 0.84 ELANE (0.37) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL6932869 0.76 TLR8 (0.46) TLR8CNR1
SCHEMBL6934861 0.76 KDM4E (0.39) KDM4EALDH1A1CNR1
SCHEMBL6935448 0.75 CNR2 (0.42) HTTALDH1A1CNR1MAPTLMNA
SCHEMBL6933518 0.73 ALDH1A1 (0.46) KDM4EHTTALDH1A1POLBGAA
SCHEMBL7615014 0.72 KDM4E (0.47) KDM4EHTTALDH1A1POLBSMPD1
SCHEMBL6934453 0.68 MAPT (0.43) KDM4EHTTALDH1A1GAACNR1
SCHEMBL6933855 0.65 ALDH1A1 (0.46) KDM4EALDH1A1POLBGAALMNA

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