SCHEMBL765644

SCHEMBL765644

CC(=O)CCCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PAOX Q6QHF9 2/20 0.38
NAAA Q02083 2/20 0.38
PIK3CD O00329 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ACHE P22303 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
S1PR5 Q9H228 1/20 0.33
DAO P14920 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL10811442 0.85
SCHEMBL4170837 0.82 POLB (0.41) POLBHPGDPKMMEN1HTT
SCHEMBL4170832 0.82 S1PR5 (0.43) POLBHPGDPKMMEN1KMT2A
SCHEMBL14321921 0.82 POLB (0.39) POLBHPGDPKMMEN1HTT
SCHEMBL6565536 0.81 CYP1A2 (0.48) HPGDNAAACYP1A2
SCHEMBL9668398 0.79 CYP1A2 (0.52) HPGDNAAACYP1A2
SCHEMBL8023937 0.77 KDM5A (0.49) MEN1HTTKMT2APAOXNAAA
SCHEMBL9978410 0.77 KDM5A (0.49) MEN1HTTKMT2APAOXNAAA
SCHEMBL12513177 0.77 KDM5A (0.49) MEN1HTTKMT2APAOXNAAA
SCHEMBL4171456 0.77 L3MBTL1 (0.51) POLBHPGDPKMMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288598-B1 THIOPHENE DERIVATIVES USEFUL AS OCULAR HYPOTENSIVE AGENTS ALLERGAN INC (US) 2012-03-21 EP disclosed