SCHEMBL7973131

SCHEMBL7973131

CC(=O)Oc1ccc2[nH]c(CC(C)C)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 8/20 0.56
PDGFRA P16234 8/20 0.56
FGFR1 P11362 1/20 0.56
CA2 P00918 2/20 0.54
MTNR1A P48039 2/20 0.48
MTNR1B P49286 1/20 0.48
XDH P47989 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PRKCE Q02156 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 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
SCHEMBL15902409 0.81 LOXL2 (0.67) PDGFRBPDGFRACA2MTNR1AMTNR1B
SCHEMBL6064390 0.78 LOXL2 (0.44) PDGFRBPDGFRACA2MTNR1AMTNR1B
SCHEMBL6332064 0.76 CA2 (0.62) PDGFRBPDGFRAFGFR1CA2PDE3B
SCHEMBL30880113 0.75 LOXL2 (0.58) PDGFRBPDGFRAFGFR1CA2MTNR1A
SCHEMBL27195636 0.75 LOXL2 (0.58) PDGFRBPDGFRAFGFR1CA2MTNR1A
SCHEMBL9516560 0.74 PDGFRB (0.70) PDGFRBPDGFRAFGFR1CA2XDH
SCHEMBL7974481 0.73 PPARG (0.55) MEN1CYP2C9KMT2AKDM4EGAA
SCHEMBL16756017 0.72 LOXL2 (0.63) PDGFRBPDGFRACA2MTNR1AMTNR1B
SCHEMBL12870534 0.72 LOXL2 (0.42) XDHLOXL2MEN1CYP2C9TSHR
SCHEMBL159833 0.72 PTGS2 (0.55) CYP2C9TSHRKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001090105-A1 ISOTHIAZOLES AS PESTICIDES SYNGENTA LIMITED (GB) 2001-11-29 WO disclosed