SCHEMBL7829859

SCHEMBL7829859

CCCCCCCCCCC(=O)OSc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.53
CES1 P23141 3/20 0.53
EPHX2 P34913 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
PAM P19021 2/20 0.45
DGKA P23743 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.43
P2RX7 Q99572 1/20 0.42
CETP P11597 1/20 0.42

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
SCHEMBL6257380 0.93 CES2 (0.50) CES2CES1TDP1MEN1KMT2A
SCHEMBL6753538 0.86 CES2 (0.47) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL7606998 0.78 EPHX2 (0.50) CES2CES1EPHX2MEN1KMT2A
SCHEMBL28545475 0.78 EPHX2 (0.50) CES2CES1EPHX2MEN1KMT2A
SCHEMBL2640406 0.77 CES2 (0.45) CES2CES1EPHX2MEN1KMT2A
SCHEMBL29060487 0.76 CES2 (0.54) CES2CES1EPHX2TDP1MEN1
SCHEMBL14722425 0.76 CES2 (0.54) CES2CES1EPHX2TDP1MEN1
SCHEMBL27871360 0.75 CES2 (0.50) CES2CES1EPHX2MEN1KMT2A
SCHEMBL5982815 0.75 CES2 (0.50) CES2CES1EPHX2MEN1KMT2A
SCHEMBL11263922 0.75 SMN1; SMN2 (0.43) CES2CES1MEN1KMT2AALDH1A1

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