SCHEMBL3713481

SCHEMBL3713481

CC(C)CCOc1cc(C(=O)O)cc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ALOX5 P09917 1/20 0.46
PPARG P37231 1/20 0.46
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
XDH P47989 5/20 0.41
NR1H4 Q96RI1 2/20 0.40
RARB P10826 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLAU P00749 1/20 0.37
LTB4R Q15722 2/20 0.37

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
SCHEMBL15662782 0.84 KMT2A (0.45) NR1H4MAPTPLAU
SCHEMBL10287469 0.82 PLA2G2A (0.49) RARB
SCHEMBL3714048 0.82 TAS1R3 (0.40) KDM4EPLAU
SCHEMBL3216400 0.81 TAS1R3 (0.39) KDM4EPLAU
SCHEMBL20606774 0.81 PLAU (0.43) PLAULTB4R
SCHEMBL899603 0.80 MAPT (0.50) MAPTPLAU
SCHEMBL8386250 0.79 ALOX5 (0.43) MAPK1ALOX5PPARGTHRATHRB
SCHEMBL2658290 0.77 KMT2A (0.43) MAPK1XDHKDM4EMAPTSMN1; SMN2
SCHEMBL8382888 0.77 PPARG (0.42) MAPK1ALOX5PPARGTHRATHRB
SCHEMBL3936715 0.76 ALDH1A1 (0.51) MAPTL3MBTL1PLAULTB4R

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
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed