SCHEMBL11067650

SCHEMBL11067650

O=C(O)CCCCCNC(=O)CCCS(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.55
EPHX2 P34913 3/20 0.54
ADRA1A P35348 1/20 0.52
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.46
PLA2G2A P14555 1/20 0.44
CASP2 P42575 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
FAAH O00519 3/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
TBXA2R P21731 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL9473225 0.96 PRMT1 (0.55) PRMT1EPHX2ADRA1ALMNATSHR
SCHEMBL10604597 0.96 PRMT1 (0.55) PRMT1EPHX2ADRA1ALMNATSHR
SCHEMBL14172359 0.91 TSHR (0.53) PRMT1EPHX2ADRA1ALMNATSHR
SCHEMBL29440276 0.91 PRMT1 (0.52) PRMT1EPHX2ADRA1ALMNATSHR
SCHEMBL24483715 0.87 PRMT1 (0.71) PRMT1EPHX2ADRA1ALMNATSHR
SCHEMBL8766995 0.87 PRMT1 (0.71) PRMT1EPHX2ADRA1ALMNATSHR
SCHEMBL19646468 0.87 PRMT1 (0.71) PRMT1EPHX2ADRA1ALMNATSHR
SCHEMBL11468363 0.87 PRMT1 (0.71) PRMT1EPHX2ADRA1ALMNATSHR
SCHEMBL22506195 0.87 PRMT1 (0.71) PRMT1EPHX2ADRA1ALMNATSHR
SCHEMBL17767810 0.87 PRMT1 (0.71) PRMT1EPHX2ADRA1ALMNATSHR

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-0120557-A2 21-Hydroxycorticosteroid esters, and compositions containing them THE UPJOHN COMPANY (US) 1984-10-03 EP disclosed
US-4472392-A Sulfonate containing ester prodrugs of corticosteroids THE UPJOHN COMPANY (US) 1984-09-18 US disclosed