SCHEMBL10353077

SCHEMBL10353077

COc1cc(OC)cc(C(O)C(=O)c2ccccc2C=CC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NFKB1 P19838 1/20 0.40
CA4 P22748 1/20 0.40
TACR1 P25103 1/20 0.40
PTGS2 P35354 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL524934 0.82 CA1 (0.50) GAAPTGER4PTGER3PTGER2KDM4E
SCHEMBL29210396 0.75 HPGD (0.43) KDM4ESMN1; SMN2HTTTACR1PTGS2
SCHEMBL139044 0.75 CES2 (0.59) GAAKDM4ESMN1; SMN2HTTTACR1
Bicarbonate SCHEMBL291493 0.74 CES2 (0.58) GAAKDM4ESMN1; SMN2HTTTACR1
Acrylic Acid SCHEMBL10353178 0.74 CES2 (0.50) GAAKDM4ESMN1; SMN2HTTTACR1
Acetic Acid SCHEMBL3368380 0.73 CES2 (0.56) GAAKDM4ESMN1; SMN2HTTMAPT
SCHEMBL28343389 0.72 CES2 (0.54) GAAKDM4ESMN1; SMN2HTTTACR1
Carbamic Acid SCHEMBL1695357 0.72 CES2 (0.54) GAAKDM4ESMN1; SMN2HTTMAPT
Phosphoric Acid SCHEMBL9151566 0.70 CES2 (0.53) KDM4ESMN1; SMN2HTTMAPTMEN1
SCHEMBL10372644 0.70 BACE1 (0.61) GAAKDM4ESMN1; SMN2HTTATM

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-0123159-B1 POSITIVE-WORKING PHOTOSENSITIVE BENZOIN ESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-05 EP disclosed
EP-0123159-A2 Positive-working photosensitive benzoin esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-31 EP disclosed
US-4469774-A RELIEF PRINTING PLATES, PHOTORESISTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-09-04 US disclosed