SCHEMBL8628859

SCHEMBL8628859

CCC(C(=O)O)N(Cc1ccco1)Cc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.48
ALOX5 P09917 1/20 0.47
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL842374 0.75 LMNA (0.49) RIPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL841079 0.75 LMNA (0.49) RIPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL11883535 0.75 RIPK1 (0.48) RIPK1ALOX5TSHRALDH1A1MAPK1
SCHEMBL7374984 0.75 NR4A2 (0.53) RIPK1ALOX5TSHRALDH1A1MAPK1
SCHEMBL7374986 0.75 NR4A2 (0.53) RIPK1ALOX5TSHRALDH1A1MAPK1
SCHEMBL3678339 0.73 TSHR (0.43) RIPK1TSHRALDH1A1MAPK1NPSR1
SCHEMBL3931357 0.72 NR4A2 (0.47) RIPK1ALOX5ALDH1A1POLBKMT2A
SCHEMBL28948504 0.72 ALOX5 (0.46) RIPK1ALOX5TSHRALDH1A1MEN1
SCHEMBL28116359 0.71 RIPK1 (0.62) RIPK1ALOX5TSHRALDH1A1MAPK1
SCHEMBL21393181 0.71 MAPK1 (0.66) RIPK1ALOX5TSHRALDH1A1MAPK1

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