SCHEMBL6928912

SCHEMBL6928912

CC(C)OC(=O)/C(C#N)=C/c1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
PTP4A3 O75365 1/20 0.52
PTP4A2 Q12974 1/20 0.52
PTP4A1 Q93096 1/20 0.52
IDE P14735 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 4/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MCL1 Q07820 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
SLC16A3 O15427 1/20 0.43
CYP3A4 P08684 1/20 0.43
SLC16A1 P53985 1/20 0.43
GPR35 Q9HC97 1/20 0.43

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
SCHEMBL6928915 1.00 ALDH1A1 (0.60) ALDH1A1PTP4A3PTP4A2PTP4A1IDE
SCHEMBL21457572 0.87 ALDH1A1 (0.61) ALDH1A1PTP4A3PTP4A2PTP4A1IDE
SCHEMBL21457591 0.87 ALDH1A1 (0.61) ALDH1A1PTP4A3PTP4A2PTP4A1IDE
SCHEMBL21457594 0.87 ALDH1A1 (0.61) ALDH1A1PTP4A3PTP4A2PTP4A1IDE
SCHEMBL21457576 0.87 ALDH1A1 (0.61) ALDH1A1PTP4A3PTP4A2PTP4A1IDE
SCHEMBL21457526 0.85 ALDH1A1 (0.60) ALDH1A1PTP4A3PTP4A2PTP4A1IDE
SCHEMBL21457142 0.85 ALDH1A1 (0.60) ALDH1A1PTP4A3PTP4A2PTP4A1IDE
SCHEMBL21457524 0.85 ALDH1A1 (0.60) ALDH1A1PTP4A3PTP4A2PTP4A1IDE
SCHEMBL21457141 0.85 ALDH1A1 (0.60) ALDH1A1PTP4A3PTP4A2PTP4A1IDE
SCHEMBL21457757 0.85 ALDH1A1 (0.60) ALDH1A1PTP4A3PTP4A2PTP4A1IDE

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
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