SCHEMBL9709534

SCHEMBL9709534

CCCCC(O)C(O)C(O)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.44
CTSG P08311 3/20 0.44
CTRB1 P17538 3/20 0.44
CMA1 P23946 3/20 0.44
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
ELANE P08246 1/20 0.42
CTRC Q99895 1/20 0.42
CSNK1E P49674 1/20 0.41
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.41
NAAA Q02083 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
SCHEMBL207880 0.83 CES2 (0.46) PRSS1CTSGCTRB1CMA1CES2
SCHEMBL27635895 0.81 PRSS1 (0.44) PRSS1CTSGCTRB1CMA1CES2
SCHEMBL6582699 0.81 SLC6A2 (0.47) PRSS1CTSGCTRB1CMA1CES2
SCHEMBL8527293 0.81 PGR (0.46) PRSS1CTSGCTRB1CMA1CES2
SCHEMBL11781795 0.80 CES2 (0.49) PRSS1CTSGCTRB1CMA1CES2
SCHEMBL8531764 0.79 MMP2 (0.48) PRSS1CTSGCTRB1CMA1CES2
SCHEMBL6582853 0.79 MMP2 (0.48) PRSS1CTSGCTRB1CMA1CES2
SCHEMBL11805754 0.79 PRSS1 (0.43) PRSS1CTSGCTRB1CMA1CES2
SCHEMBL27906659 0.79 KMT2A (0.46) CES2CES1CSNK1ECNR2LMNA
SCHEMBL9155484 0.79 MMP2 (0.48) PRSS1CTSGCTRB1CMA1CES2

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-0488712-A1 Positive photoresist composition HOECHST CELANESE CORPORATION (US) 1992-06-03 EP claimed
EP-0488712-A1 Positive photoresist composition HOECHST CELANESE CORPORATION (US) 1992-06-03 EP disclosed