SCHEMBL10782801

SCHEMBL10782801

O=C(CCCCCCCCCCCCCCCCCc1ccccc1)Oc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.63
PRSS2 P07478 1/20 0.63
PRSS3 P35030 1/20 0.63
MAPT P10636 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
HPGD P15428 2/20 0.57
KMT2A Q03164 1/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
ALOX5 P09917 2/20 0.56
FAAH O00519 3/20 0.54
CES1 P23141 3/20 0.54
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52

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
SCHEMBL10956824 1.00 PRSS1 (0.63) PRSS1PRSS2PRSS3MAPTRXFP1
SCHEMBL10959882 1.00 PRSS1 (0.63) PRSS1PRSS2PRSS3MAPTRXFP1
SCHEMBL10911384 1.00 PRSS1 (0.63) PRSS1PRSS2PRSS3MAPTRXFP1
SCHEMBL10911174 1.00 PRSS1 (0.63) PRSS1PRSS2PRSS3MAPTRXFP1
SCHEMBL10778982 1.00 PRSS1 (0.63) PRSS1PRSS2PRSS3MAPTRXFP1
SCHEMBL10779126 1.00 PRSS1 (0.63) PRSS1PRSS2PRSS3MAPTRXFP1
SCHEMBL10781261 1.00 PRSS1 (0.63) PRSS1PRSS2PRSS3MAPTRXFP1
SCHEMBL10783821 1.00 PRSS1 (0.63) PRSS1PRSS2PRSS3MAPTRXFP1
SCHEMBL10953715 1.00 PRSS1 (0.63) PRSS1PRSS2PRSS3MAPTRXFP1
SCHEMBL10913220 1.00 PRSS1 (0.63) PRSS1PRSS2PRSS3MAPTRXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0125641-B1 ALKANOYLOXYBENZENESULFONATE SALT PRODUCTION ETHYL CORPORATION (US) 1987-03-04 EP disclosed
US-4537724-A Alkanoyloxybenzenesulfonate salt production ETHYL CORPORATION (US) 1985-08-27 US disclosed
EP-0125641-A2 Alkanoyloxybenzenesulfonate salt production ETHYL CORPORATION (US) 1984-11-21 EP disclosed