SCHEMBL7848089

SCHEMBL7848089

Cc1ccc(COc2ccsc2C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
RAB9A P51151 2/20 0.72
PTPRC P08575 1/20 0.64
PTPN1 P18031 1/20 0.64
CYP1A2 P05177 3/20 0.63
CYP3A4 P08684 3/20 0.63
CYP2C19 P33261 3/20 0.63
GAA P10253 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.55
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
INPPL1 O15357 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
CYP2C9 P11712 2/20 0.46
RXRA P19793 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
SCHEMBL4096759 0.86 L3MBTL1 (0.69) ALDH1A1L3MBTL1RAB9APTPRCPTPN1
SCHEMBL6892098 0.85 MEN1 (0.72) ALDH1A1L3MBTL1RAB9APTPRCPTPN1
SCHEMBL7821718 0.85 MEN1 (0.72) ALDH1A1L3MBTL1RAB9APTPRCPTPN1
SCHEMBL8235410 0.84 ALDH1A1 (1.00) ALDH1A1L3MBTL1RAB9APTPRCPTPN1
SCHEMBL7509958 0.84 L3MBTL1 (1.00) ALDH1A1L3MBTL1RAB9APTPRCPTPN1
SCHEMBL4938255 0.78 MEN1 (0.64) ALDH1A1L3MBTL1RAB9APTPRCPTPN1
SCHEMBL4601717 0.77 L3MBTL1 (0.59) ALDH1A1L3MBTL1RAB9APTPRCPTPN1
SCHEMBL1840806 0.77 KMT2A (0.70) ALDH1A1L3MBTL1RAB9APTPRCPTPN1
SCHEMBL9826065 0.76 ATM (0.48) ALDH1A1L3MBTL1RAB9APTPRCPTPN1
SCHEMBL2498156 0.75 KMT2A (0.66) ALDH1A1L3MBTL1RAB9APTPRCPTPN1

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