SCHEMBL11298690

SCHEMBL11298690

CCCCSC1=C(C(=O)OCc2ccccc2)N2C(=O)C(C(C)O)C2C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.55
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GPBAR1 Q8TDU6 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLC29A1 Q99808 1/20 0.38

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
SCHEMBL11135558 0.94 ELANE (0.55) ELANEKDM4ELMNAGPBAR1ALDH1A1
SCHEMBL10572626 0.88 ELANE (0.52) ELANEKDM4ELMNAGPBAR1ESR1
SCHEMBL11264066 0.88 ELANE (0.43) ELANEKDM4ELMNAALDH1A1TDP1
SCHEMBL11155898 0.86 ELANE (0.51) ELANEKDM4ELMNAGPBAR1ESR1
SCHEMBL10571626 0.85 ELANE (0.55) ELANEKDM4ELMNAGPBAR1ESR1
SCHEMBL10572555 0.85 ELANE (0.54) ELANEKDM4ELMNAGPBAR1ESR1
SCHEMBL10568991 0.82 ELANE (0.55) ELANEGPBAR1
SCHEMBL11040766 0.81 ELANE (0.42) ELANEALDH1A1L3MBTL1
SCHEMBL11277393 0.80 ELANE (0.55) ELANEGPBAR1
SCHEMBL11276416 0.80 ELANE (0.55) ELANEGPBAR1TSHR

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
EP-0017970-B1 NOVEL BETA-LACTAM DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF SANRAKU-OCEAN CO., LTD. (JP) 1982-07-07 EP disclosed
EP-0017970-A1 Novel beta-lactam derivatives and process for production thereof SANRAKU-OCEAN CO., LTD. (JP) 1980-10-29 EP disclosed