SCHEMBL7824239

SCHEMBL7824239

COc1cccc(C(=O)O)c1OCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 3/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MEN1 O00255 1/20 0.48
CD69 Q07108 2/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL18702949 0.89 SMN1; SMN2 (0.58) KDM4EPOLBSMN1; SMN2HTTLMNA
SCHEMBL5846509 0.88 KMT2A (0.53) KDM4EPOLBSMN1; SMN2HTTMAPK1
SCHEMBL6744642 0.88 SMN1; SMN2 (0.70) KDM4EPOLBSMN1; SMN2LMNAKMT2A
SCHEMBL10375122 0.88 HTT (0.47) KDM4EPOLBSMN1; SMN2HTTMAPK1
SCHEMBL9774310 0.88 POLB (0.57) KDM4EPOLBSMN1; SMN2HTTLMNA
SCHEMBL9774386 0.87 ALDH1A1 (0.56) KDM4ESMN1; SMN2HTTLMNAMAPK1
SCHEMBL16165685 0.85 KMT2A (0.54) KDM4ESMN1; SMN2HTTMAPK1KMT2A
SCHEMBL20509584 0.84 KMT2A (0.60) KDM4EPOLBSMN1; SMN2HTTLMNA
SCHEMBL28919413 0.84 SMN1; SMN2 (0.58) SMN1; SMN2HTTLMNAMAPK1KMT2A
SCHEMBL8481540 0.84 PTPN1 (0.50) KDM4EPOLBSMN1; SMN2HTTMAPK1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
CN-1027581-C Method for producing recording material for ink jet printing CIBA GEIGY AG (CH) 1995-02-08 CN disclosed
EP-0373573-B1 Recording material for ink jet printing CIBA GEIGY AG (CH) 1994-06-22 EP disclosed
US-5073448-A Containing light stabilizers CIBA-GEIGY CORPORATION (US) 1991-12-17 US disclosed