SCHEMBL7828163

SCHEMBL7828163

Cc1ccc(Cl)c(P(=O)(O)O)c1.Cc1ccccc1C(=CC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 6/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.40
THPO P40225 1/20 0.40

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
SCHEMBL4333511 0.83 RAB9A (0.53) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL7828156 0.82 RORC (0.44) RORCLMNASMN1; SMN2MAPTKMT2A
SCHEMBL7828158 0.82 RORC (0.44) RORCLMNASMN1; SMN2MAPTKMT2A
SCHEMBL7828162 0.73 RORC (0.40) RORCLMNASMN1; SMN2MAPTKMT2A
SCHEMBL7842423 0.69 CES1 (0.66) LMNAMAPTKMT2AMEN1GAA
SCHEMBL7842426 0.69 CES1 (0.66) LMNAMAPTKMT2AMEN1GAA
SCHEMBL7852918 0.69 CES1 (0.66) LMNAMAPTKMT2AMEN1GAA
SCHEMBL3395636 0.67 LMNA (0.39) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL13714272 0.66 ALDH1A1 (0.62) LMNASMN1; SMN2MAPTGAAALDH1A1
SCHEMBL5173228 0.66 MAPK13 (0.61) RORCLMNASMN1; SMN2MAPTKMT2A

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