SCHEMBL27870286

SCHEMBL27870286

CCCCCC(=O)OC(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
EPHX2 P34913 1/20 0.43
PAM P19021 2/20 0.42
DGKA P23743 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ASAH1 Q13510 1/20 0.41
ACER2 Q5QJU3 1/20 0.41

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
SCHEMBL9346898 0.88 P2RX7 (0.41) CES2CES1MEN1KMT2AKDM4E
SCHEMBL30074233 0.87 CES2 (0.47) CES2CES1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL28897673 0.86 CES2 (0.46) CES2CES1MEN1KMT2AKDM4E
SCHEMBL28469181 0.85 CES2 (0.49) CES2CES1MEN1KMT2AKDM4E
SCHEMBL29655352 0.83 CTSK (0.53) CES2CES1MEN1KMT2AKDM4E
SCHEMBL19928251 0.80 CYP2C19 (0.52) CES2CES1KMT2AKDM4ECYP2C19
SCHEMBL27582532 0.79 STS (0.40) CES2CES1MEN1KMT2AKDM4E
SCHEMBL6036662 0.79 KDM4E (0.48) CES2CES1MEN1KMT2AKDM4E
SCHEMBL9860856 0.78 MAPK1 (0.50) CES2CES1MEN1KMT2AKDM4E
SCHEMBL30138490 0.78 MAPK1 (0.46) CES2CES1MEN1KMT2AKDM4E

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
CN-101370867-B Rubber composition containing modified polybutadiene rubber and tire BRIDGESTONE CORP 2012-09-05 CN disclosed