SCHEMBL10559347

SCHEMBL10559347

CCCCC(=O)OC[CH]c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
MIF P14174 1/20 0.42
ALOX5 P09917 1/20 0.42
PAM P19021 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TOP2A P11388 1/20 0.41
DGKA P23743 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
SCHEMBL10563454 0.90 MEN1 (0.45) MEN1KMT2AKDM4EL3MBTL1CES2
SCHEMBL1305901 0.84 MMP1 (0.47) MEN1KMT2AKDM4ERECQLTSHR
SCHEMBL1305900 0.84 MMP1 (0.47) MEN1KMT2AKDM4ERECQLTSHR
SCHEMBL10559250 0.83 MEN1 (0.47) MEN1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL4964055 0.80 TSHR (0.50) TSHRCYP4F2CYP4A11LMNATDP1
SCHEMBL4964052 0.80 TSHR (0.50) TSHRCYP4F2CYP4A11LMNATDP1
SCHEMBL4202770 0.79 TSHR (0.53) TSHRCES2CES1CYP4F2CYP4A11
SCHEMBL2028050 0.79 TSHR (0.53) TSHRCES2CES1CYP4F2CYP4A11
SCHEMBL2021005 0.79 TSHR (0.53) TSHRCES2CES1CYP4F2CYP4A11
SCHEMBL2027283 0.79 TSHR (0.53) TSHRCES2CES1CYP4F2CYP4A11

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
US-4831041-A ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed