SCHEMBL28469181

SCHEMBL28469181

CCCCCCCCCC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.49
CES1 P23141 2/20 0.49
EPHX2 P34913 1/20 0.45
PAM P19021 2/20 0.45
DGKA P23743 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL30074233 0.86 CES2 (0.47) CES2CES1EPHX2PAMDGKA
SCHEMBL27870286 0.85 CES2 (0.47) CES2CES1EPHX2PAMDGKA
Hydrochloric Acid SCHEMBL28897673 0.84 CES2 (0.46) CES2CES1EPHX2PAMDGKA
SCHEMBL9503285 0.82 KDM4E (0.45) CES2CES1EPHX2MEN1KMT2A
SCHEMBL13254134 0.81 CES2 (0.36) CES2CES1EPHX2MEN1KMT2A
SCHEMBL31603755 0.81 FFAR1 (0.60) EPHX2DGKA
SCHEMBL28773127 0.80 KDM4E (0.42) CES2CES1MEN1KMT2AKDM4E
SCHEMBL7007480 0.80 CES1 (0.49) CES2CES1EPHX2MEN1KMT2A
SCHEMBL27206840 0.80 GPR84 (0.46) CES2CES1PAMMEN1KMT2A
SCHEMBL6031920 0.80 CES1 (0.49) CES2CES1EPHX2MEN1KMT2A

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-107970209-B Improved parenteral formulations of lipophilic pharmaceutical agents and methods of making and using the same 普拉福姆五金器具第二有限公司 2020-10-30 CN disclosed