SCHEMBL5088680

SCHEMBL5088680

O=C(COCC1CCCCC1O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SLC18A3 Q16572 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CES1 P23141 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL4117987 0.81 PTGIR (0.47) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL6958282 0.80 PTGIR (0.46) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL7722638 0.80 MAPT (0.50) MEN1KMT2AALDH1A1CYP1A2TDP1
SCHEMBL7081529 0.78 PTGIR (0.52) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL864716 0.73 MAPT (0.61) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL10280961 0.72 SCN9A (0.50) SLC18A3
SCHEMBL13942035 0.72 SCN9A (0.50) SLC18A3
SCHEMBL5635981 0.72 TDP1 (0.47) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL5799404 0.71 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL14943051 0.71 CA1 (0.50) SLC18A3

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
WO-2008018692-A1 NOVEL CHALCONE DERIVATIVES WHICH INHIBIT THE IL-5 ACTIVITY THE INDUSTRY AND ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC) (KR) 2008-02-14 WO disclosed