SCHEMBL7823960

SCHEMBL7823960

COc1ccc(C(O)C(=O)O)cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
BLM P54132 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TSHR P16473 1/20 0.57
F2 P00734 3/20 0.54
F10 P00742 3/20 0.54
PRSS1 P07477 3/20 0.54
F7 P08709 3/20 0.54
PRSS2 P07478 2/20 0.54
F3 P13726 2/20 0.54
PRSS3 P35030 2/20 0.54
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RXRA P19793 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51

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
SCHEMBL9360975 0.92 F2 (0.49) SMPD1HDAC1HDAC8HDAC6BLM
SCHEMBL9360982 0.92 F2 (0.49) SMPD1HDAC1HDAC8HDAC6BLM
SCHEMBL9586284 0.86 SMPD1 (0.56) SMPD1HDAC1HDAC8HDAC6F2
SCHEMBL2060104 0.86 SMPD1 (0.56) SMPD1HDAC1HDAC8HDAC6F2
SCHEMBL5041809 0.85 SMPD1 (0.56) SMPD1HDAC1HDAC8HDAC6F2
SCHEMBL2544411 0.85 ACHE (0.58) SMPD1HDAC1HDAC8HDAC6BLM
SCHEMBL3565827 0.85 SMPD1 (0.54) SMPD1HDAC1HDAC8HDAC6F2
SCHEMBL8843624 0.83 SMPD1 (0.53) SMPD1HDAC1HDAC8HDAC6F2
SCHEMBL21358351 0.83 SMPD1 (0.49) SMPD1HDAC1HDAC8HDAC6F2
SCHEMBL21358353 0.83 SMPD1 (0.49) SMPD1HDAC1HDAC8HDAC6F2

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
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