SCHEMBL4007797

SCHEMBL4007797

CC(C)OC(=O)C(=Cc1ccc(N)cc1)C(=O)OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CA12 O43570 1/20 0.39
AKR1B10 O60218 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
AKR1B1 P15121 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL4007800 0.92 TP53 (0.41) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL31457368 0.86 KDM4E (0.46) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL4000082 0.84 MEN1 (0.41) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL13810256 0.84 MEN1 (0.58) MEN1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL8333245 0.81 HPGD (0.49) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL6930099 0.80 MAPT (0.49) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL6928912 0.80 ALDH1A1 (0.60) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL6928915 0.80 ALDH1A1 (0.60) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL2155002 0.79 MEN1 (0.49) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL8734502 0.79 NR1H4 (0.53) MEN1KMT2ALMNAMAPTNPSR1

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
WO-2009074409-A1 S-TRIAZINE COMPOUNDS CONTAINING ONE AMINOSILOXANE GROUP AND TWO PARTICULAR PARA-AMINOBENZALMALONATE GROUPS; COSMETIC COMPOSITIONS CONTAINING SAID DERIVATIVES; USES OF SAID S-TRIAZINE DERIVATIVES L'OREAL (FR) 2009-06-18 WO disclosed
WO-2009074409-A1 S-TRIAZINE COMPOUNDS CONTAINING ONE AMINOSILOXANE GROUP AND TWO PARTICULAR PARA-AMINOBENZALMALONATE GROUPS; COSMETIC COMPOSITIONS CONTAINING SAID DERIVATIVES; USES OF SAID S-TRIAZINE DERIVATIVES L'OREAL (FR) 2009-06-18 WO disclosed
US-6517742-B1 2-(butyl 4'-ylaminobenzoate)-4,6-bis((1,3,3,3-tetramethyl-1 -((trimethylsilyl)oxy)disiloxanyl)propyl-3-ylamino)-s-triazine; s-triazine derivatives substituted by at least one silicone group; from cyanuric chloride L'OREAL (FR) 2003-02-11 US disclosed
US-5928630-A PROTECT AGAINST SOLAR RADIATION; ABSORB BOTH ULTRAVIOLET A AND B RADIATION Societe L' Oreal S.A. (FR) 1999-07-27 US disclosed
US-5849909-A Benzalmalonatae/phenylcyanoacrylate-substituted S-triazine compounds SOCIETE L'OREAL S.A. (FR) 1998-12-15 US disclosed