SCHEMBL8629960

SCHEMBL8629960

OCCN(Cc1ccco1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 5/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 4/20 0.41
RIPK1 Q13546 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 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
SCHEMBL8634675 0.79 TSHR (0.56) ALOX5ALDH1A1TSHRMAPK1NPSR1
SCHEMBL5790031 0.79 TSHR (0.52) ALDH1A1TSHRMAPK1NPSR1MAPT
SCHEMBL11067773 0.77 ALOX5 (0.49) ALOX5ALDH1A1TSHRMAPK1NPSR1
SCHEMBL78451 0.75 KDM4E (0.46) ALDH1A1TSHRNPSR1MAPTSMN1; SMN2
SCHEMBL3061911 0.74 TSHR (0.59) ALDH1A1TSHRNPSR1MAPTSMN1; SMN2
SCHEMBL11669014 0.74 ALOX5 (0.46) ALOX5ALDH1A1TSHRMAPK1NPSR1
SCHEMBL8632445 0.74 POLB (0.46) ALOX5ALDH1A1TSHRMAPK1MAPT
SCHEMBL13990259 0.74 TSHR (0.41) ALOX5ALDH1A1TSHRMAPK1NPSR1
SCHEMBL14641064 0.74 ALDH1A1 (0.40) ALOX5ALDH1A1TSHRMAPK1NPSR1
SCHEMBL13934475 0.74 THRA (0.47) ALOX5ALDH1A1TSHRMAPK1NPSR1

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