SCHEMBL9542709

SCHEMBL9542709

CCCCC1OC(=O)C(C)=C1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
ABHD16A O95870 1/20 0.38
MAOB P27338 8/20 0.36
MAOA P21397 6/20 0.36
PTPN1 P18031 2/20 0.34
MAPT P10636 2/20 0.34
GRM2 Q14416 1/20 0.34
ACP1 P24666 1/20 0.34
CDC25B P30305 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN2 P17706 1/20 0.34
DUSP3 P51452 1/20 0.34
HPSE Q9Y251 1/20 0.34
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 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
SCHEMBL3104384 0.94 CES2 (0.45) CES2ABHD16AMAOBMAOAPTPN1
SCHEMBL5361290 0.81 CES2 (0.44) CES2ABHD16AMAOBMAOAPTPN1
SCHEMBL11954843 0.76 CES2 (0.43) CES2ABHD16AMAOBMAOAPTPN1
SCHEMBL8985145 0.75 PLA2G6 (0.44) MAOB
SCHEMBL7559916 0.74 CES2 (0.52) CES2ABHD16AMAOBMAOAPTPN1
SCHEMBL7563251 0.74 CES2 (0.49) CES2ABHD16AMAOBMAOAPTPN1
SCHEMBL504239 0.73
SCHEMBL18784040 0.73 ABHD16A (0.46) CES2ABHD16APTPN1MAPTGRM2
SCHEMBL16639646 0.73 ABHD16A (0.46) CES2ABHD16APTPN1MAPTGRM2
SCHEMBL7967654 0.72 MAPT (0.37) PTPN1MAPTACP1CDC25BRECQL

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
JP-5178706-A None JP disclosed
JP-H05178706-A REPELLENT FOR HARMFUL ARTHROPOD SUMITOMO CHEM CO LTD 1993-07-20 JP disclosed