SCHEMBL5164147

SCHEMBL5164147

O=C(O)CCCCCCCCCCC(=O)Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.64
PRSS2 P07478 1/20 0.64
PRSS3 P35030 1/20 0.64
MAPT P10636 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KMT2A Q03164 3/20 0.53
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
PPARA Q07869 2/20 0.47

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
SCHEMBL27476525 1.00 PRSS1 (0.64) PRSS1PRSS2PRSS3MAPTHDAC3
SCHEMBL27834764 1.00 PRSS1 (0.64) PRSS1PRSS2PRSS3MAPTHDAC3
SCHEMBL21879683 1.00 PRSS1 (0.64) PRSS1PRSS2PRSS3MAPTHDAC3
SCHEMBL5158927 1.00 PRSS1 (0.64) PRSS1PRSS2PRSS3MAPTHDAC3
SCHEMBL4896084 0.98 PRSS1 (0.61) PRSS1PRSS2PRSS3MAPTHDAC3
Adipic Acid SCHEMBL28248016 0.94 PRSS1 (0.57) PRSS1PRSS2PRSS3MAPTHDAC3
SCHEMBL7569171 0.94 PRSS1 (0.57) PRSS1PRSS2PRSS3MAPTHDAC3
SCHEMBL25297232 0.94 PRSS1 (0.70) PRSS1PRSS2PRSS3MAPTHDAC1
SCHEMBL21879662 0.94 PRSS1 (0.70) PRSS1PRSS2PRSS3MAPTHDAC1
SCHEMBL43568 0.94 PRSS1 (0.70) PRSS1PRSS2PRSS3MAPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519977-B1 POLYESTERCARBONATES AND METHODS OF MANUFACTURE GEN ELECTRIC (US) 2007-03-07 EP disclosed
EP-1519977-A1 POLYESTERCARBONATES AND METHODS OF MANUFACTURE GENERAL ELECTRIC COMPANY (US) 2005-04-06 EP disclosed
US-6689862-B2 MELT TRANSESTERIFICATION GENERAL ELECTRIC COMPANY 2004-02-10 US disclosed
WO-2004005368-A1 POLYESTERCARBONATES AND METHODS OF MANUFACTURE GENERAL ELECTRIC COMPANY (US) 2004-01-15 WO disclosed
US-20040010112-A1 Polycarbonateester copolymer;impact strength, radiation transparent, heat resistance, waterproofing SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2004-01-15 US disclosed