SCHEMBL5778675

SCHEMBL5778675

OCCCc1cc2c[c]ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.37
MTNR1A P48039 3/20 0.35
MTNR1B P49286 2/20 0.34
RAD52 P43351 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
LOXL2 Q9Y4K0 3/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SSTR1 P30872 2/20 0.30
SSTR2 P30874 2/20 0.30
SSTR4 P31391 2/20 0.30
SSTR3 P32745 2/20 0.30
SSTR5 P35346 2/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL5178946 0.90 MTNR1A (0.36) RHEBMTNR1AMTNR1BHRH3LOXL2
SCHEMBL2562389 0.82 RHEB (0.36) RHEBMTNR1AMTNR1BLOXL2
SCHEMBL1661108 0.81 ALDH1A1 (0.39) MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL5778097 0.80 DAO (0.39) MTNR1AMTNR1BHRH3LOXL2DAO
SCHEMBL694595 0.79 ADORA1 (0.39) MTNR1AMTNR1BHRH3LOXL2KDM4E
SCHEMBL1662293 0.79 CYP1A2 (0.41) MTNR1AMTNR1BKDM4E
SCHEMBL31278346 0.77 LOXL2 (0.56) RHEBMTNR1AMTNR1BHRH3LOXL2
SCHEMBL2071314 0.77 LOXL2 (0.56) RHEBMTNR1AMTNR1BHRH3LOXL2
SCHEMBL188218 0.75 GAA (0.35) MTNR1AMTNR1BHRH3LOXL2
SCHEMBL189125 0.75 LOXL2 (0.37) MTNR1AMTNR1BLOXL2KDM4EALDH1A1

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
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed