SCHEMBL7823116

SCHEMBL7823116

CC1CCCC(C(=O)O)C1.Cc1cc(C)c(C(C(=O)O)c2ccccc2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.36
GRM5 P41594 1/20 0.36
LMNA P02545 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7823118 0.83 RECQL (0.36) RECQLTSHRGRM5LMNASLC6A2
SCHEMBL4776740 0.79 SLC6A2 (0.47) LMNASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL16169552 0.70 BTK (0.44) RECQLTSHRLMNAAAK1AKR1C3
SCHEMBL14210997 0.70 BTK (0.44) RECQLTSHRLMNAAAK1AKR1C3
SCHEMBL10306770 0.70 BTK (0.44) RECQLTSHRLMNAAAK1AKR1C3
SCHEMBL254912 0.70 BTK (0.44) RECQLTSHRLMNAAAK1AKR1C3
SCHEMBL6128504 0.70 BTK (0.44) RECQLTSHRLMNAAAK1AKR1C3
SCHEMBL14438406 0.70 BTK (0.44) RECQLTSHRLMNAAAK1AKR1C3
SCHEMBL17476756 0.70 BTK (0.44) RECQLTSHRLMNAAAK1AKR1C3
SCHEMBL13711830 0.70 BTK (0.44) RECQLTSHRLMNAAAK1AKR1C3

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