SCHEMBL7823974

SCHEMBL7823974

CCCCCCCCCCCCC(=O)NNC(=O)CC(=O)Nc1ccccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.67
HPGD P15428 1/20 0.67
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 1/20 0.58
SOAT1 P35610 2/20 0.58
KDM4E B2RXH2 3/20 0.57
P2RX7 Q99572 1/20 0.56
CETP P11597 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PLK1 P53350 4/20 0.55
PLK3 Q9H4B4 3/20 0.55
POLB P06746 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN6 P29350 1/20 0.53
CDC25B P30305 1/20 0.53

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
SCHEMBL7825008 1.00 CYP2C9 (0.67) CYP2C9HPGDKMT2AALDH1A1L3MBTL1
SCHEMBL14429836 1.00 CYP2C9 (0.67) CYP2C9HPGDKMT2AALDH1A1L3MBTL1
SCHEMBL7821977 1.00 CYP2C9 (0.67) CYP2C9HPGDKMT2AALDH1A1L3MBTL1
SCHEMBL7828359 1.00 CYP2C9 (0.67) CYP2C9HPGDKMT2AALDH1A1L3MBTL1
SCHEMBL7821548 1.00 CYP2C9 (0.67) CYP2C9HPGDKMT2AALDH1A1L3MBTL1
SCHEMBL7825380 1.00 CYP2C9 (0.67) CYP2C9HPGDKMT2AALDH1A1L3MBTL1
SCHEMBL7827663 0.99 CYP2C9 (0.69) CYP2C9HPGDKMT2AALDH1A1L3MBTL1
SCHEMBL7820705 0.94 CYP2C9 (0.71) CYP2C9HPGDKMT2AALDH1A1L3MBTL1
SCHEMBL7636178 0.92 SOAT1 (0.68) CYP2C9HPGDKMT2AALDH1A1SOAT1
SCHEMBL5840193 0.92 SOAT1 (0.68) CYP2C9HPGDKMT2AALDH1A1SOAT1

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