SCHEMBL8628766

SCHEMBL8628766

CCCCCCCCN(CC(O)CO)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
MMP1 P03956 3/20 0.39
MMP13 P45452 3/20 0.39
MMP7 P09237 2/20 0.39
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39
CNR1 P21554 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 3/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
PPARG P37231 1/20 0.37
APAF1 O14727 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
SCHEMBL8633500 0.90 CNR2 (0.47) CNR2CNR1KDM4EMAPK1TDP1
SCHEMBL8629892 0.84 KDM4E (0.44) CNR2KDM4EMAPK1TDP1PPARG
SCHEMBL24359339 0.82 CNR2 (0.52) CNR2CNR1MAPK1USP2LMNA
SCHEMBL1573445 0.77 CNR2 (0.47) CNR2MAPK1USP2LMNACYP1A2
SCHEMBL22340689 0.77 CNR2 (0.62) CNR2CNR1USP2LMNACYP1A2
SCHEMBL29335780 0.77 CNR2 (0.62) CNR2CNR1USP2LMNACYP1A2
SCHEMBL22340752 0.77 CNR2 (0.62) CNR2CNR1USP2LMNACYP1A2
SCHEMBL20871792 0.77 CNR2 (0.62) CNR2CNR1USP2LMNACYP1A2
SCHEMBL20871829 0.77 CNR2 (0.62) CNR2CNR1USP2LMNACYP1A2
SCHEMBL11808213 0.77 CNR2 (0.49) CNR2CNR1KDM4ETDP1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5709816-A N,N-DISUBSTITUTED ANILINE COMPOUNDS KAO CORPORATION (JP) 1998-01-20 US disclosed
EP-0761214-A2 N,N-disubstituted anilines or alkylamines as singlet oxygen quenchers, topical compositions comprising them KAO CORPORATION (JP) 1997-03-12 EP disclosed