SCHEMBL7821178

SCHEMBL7821178

CC(C)(C)CCCCCC(=O)O.O=C(O)CSCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6340423 0.83 CYP1A2 (0.54) CYP1A2MEN1KMT2AMAPTALDH1A1
SCHEMBL4610015 0.75 MAPT (0.54) MEN1KMT2AMAPTTDP1BCHE
SCHEMBL6754408 0.75 MAPT (0.54) MEN1KMT2AMAPTTDP1BCHE
SCHEMBL4609127 0.75 MAPT (0.54) MEN1KMT2AMAPTTDP1BCHE
SCHEMBL7821173 0.74 POLB (0.43) CYP1A2MEN1KMT2AMAPTTDP1
SCHEMBL9508850 0.74 MAPT (0.46) CYP1A2MEN1KMT2AMAPTTDP1
SCHEMBL6754133 0.73 ALDH1A1 (0.51) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL6754130 0.73 ALDH1A1 (0.51) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL9623550 0.72 MEN1 (0.44) CYP1A2MEN1KMT2AMAPTTDP1
SCHEMBL9623545 0.72 MEN1 (0.44) CYP1A2MEN1KMT2AMAPTTDP1

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