SCHEMBL7824376

SCHEMBL7824376

CC(=O)c1cc(NC(=O)C2=C(C(=O)O)CCCC2)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.56
▸ DHODH Q02127 7/20 0.54
▸ MAPT P10636 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ PARP1 P09874 1/20 0.49
▸ PARP15 Q460N3 1/20 0.49
▸ PARP10 Q53GL7 1/20 0.49
▸ AKR1C3 P42330 2/20 0.48
▸ AKR1C2 P52895 1/20 0.48
▸ AKR1C1 Q04828 1/20 0.48
▸ NR4A2 P43354 1/20 0.46
▸ KDM4C Q9H3R0 2/20 0.45
▸ LMNA P02545 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 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
SCHEMBL3924670 0.79 DHODH (0.63) NPSR1DHODHPKMPARP1PARP15
SCHEMBL10527844 0.78 HSD17B10 (0.54) MAPTPOLBPKMTSHRHSD17B10
SCHEMBL3914856 0.77 DHODH (0.69) NPSR1DHODHMAPTPOLBHSD17B10
SCHEMBL925741 0.76 SMN1; SMN2 (0.57) MAPTPOLBPKMTSHRHSD17B10
SCHEMBL30621955 0.76 SMN1; SMN2 (0.57) MAPTPOLBPKMTSHRHSD17B10
SCHEMBL6346820 0.76 KMT2A (0.65) MAPTPOLBPKMKDM4E
SCHEMBL3926481 0.75 PARP1 (0.77) NPSR1DHODHPOLBPKMPARP1
SCHEMBL8762690 0.75 DHODH (0.76) NPSR1DHODHPOLBPARP1PARP15
SCHEMBL10841541 0.73 NPSR1 (0.57) NPSR1DHODHMAPTPARP1PARP15
SCHEMBL3990108 0.72 DHODH (0.73) DHODHPOLBPARP1PARP15PARP10

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
Send feedback