SCHEMBL7822583

SCHEMBL7822583

O=C(O)c1cc(C(=O)O)c(-c2ccc(C(F)(F)F)cc2)nc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
MAP2K4 P45985 2/20 0.46
MAPK6 Q16659 2/20 0.46
MAPKAPK3 Q16644 1/20 0.46
MAPKAPK5 Q8IW41 1/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
DHODH Q02127 3/20 0.45
SLC6A2 P23975 1/20 0.45
P2RY14 Q15391 1/20 0.45
CYP2C8 P10632 1/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXRG P48443 1/20 0.44
SRD5A2 P31213 1/20 0.44

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
SCHEMBL7824222 0.84 KMO (0.50) MAPTRXRARXRBKDM4EALDH1A1
SCHEMBL400608 0.76 NTRK1 (0.52) DHODHCYP2C8RXRARXRBKDM4E
SCHEMBL3975183 0.76 MAP4K4 (0.58) MAPTTP53POLBSLC6A2P2RY14
SCHEMBL30445247 0.75 CYP2C8 (0.50) MAPK1MAP2K4MAPK6MAPKAPK3DHODH
SCHEMBL6491306 0.74 PTPN1 (0.46) DHODHRXRARXRBMAP4K4
SCHEMBL25148616 0.73 SLC6A2 (0.43) MAPTTP53POLBDHODHSLC6A2
SCHEMBL3745471 0.72 KEAP1 (0.54) MAPK1MAP2K4MAPK6MAPKAPK3MAPKAPK5
SCHEMBL28059821 0.71 KDM4E (0.49) DHODHSLC6A2P2RY14CYP2C8RXRA
SCHEMBL330660 0.71 ACMSD (0.66) SLC6A2P2RY14RXRARXRBKDM4E
SCHEMBL4197626 0.71 TDP1 (0.61) MAPTDHODHKDM4EALDH1A1MEN1

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