SCHEMBL9490509

SCHEMBL9490509

CCCCC[P](=O)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.50
CES1 P23141 5/20 0.50
NAAA Q02083 1/20 0.47
KCNH2 Q12809 1/20 0.42
LMNA P02545 1/20 0.41
PTGS2 P35354 1/20 0.41
CNR2 P34972 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9419079 0.84 CES2 (0.51) CES2CES1NAAALMNAPTGS2
Benzoic Acid SCHEMBL27863472 0.75 CES2 (0.53) CES2CES1NAAAALDH1A1
Benzoic Acid SCHEMBL9594281 0.74 TSHR (0.67) CES2CES1NAAAALDH1A1
Benzoic Acid SCHEMBL28845500 0.74 TSHR (0.67) CES2CES1NAAAALDH1A1
Benzoic Acid SCHEMBL27413851 0.74 TSHR (0.67) CES2CES1NAAAALDH1A1
Benzophenone SCHEMBL23014697 0.74 ALDH1A1 (0.67) CES2CES1NAAALMNACNR2
SCHEMBL27928530 0.73 PLK1 (0.41) CNR2ALDH1A1
Dodecane SCHEMBL28594534 0.72 TSHR (0.64) CES2CES1NAAAALDH1A1
Benzoic Acid SCHEMBL9089056 0.72 TSHR (0.64) CES2CES1NAAAALDH1A1
Benzoic Acid SCHEMBL8371517 0.72 TSHR (0.64) CES2CES1NAAAALDH1A1

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
US-5262278-A Film-forming solution of acrylic copolymer which has been reacted with glycidyl (meth)acrylate, also phosphoric ester of hydroxyalkyl (meth)acrylate and other unsaturated monomer, for photosensitive coatings BASF AKTIENGESELLSCHAFT (DE) 1993-11-16 US disclosed
US-4935330-A Photopolymerizable mixture, photosensitive recording element containing this mixture, and the production of lithographic printing plate using this photosensitive recording element BASF AKTIENGESELLSCHAFT (DE) 1990-06-19 US disclosed