SCHEMBL19071002

SCHEMBL19071002

CCc1ccc(Oc2ccc(Cl)cn2)cc1C1=C(O)C2C3CCC(CC3)C2C1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.35
FAAH O00519 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PPARG P37231 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
BTK Q06187 5/20 0.32
EGFR P00533 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX3 P56373 3/20 0.32
HRH3 Q9Y5N1 2/20 0.32
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL10196289 1.00 LIPE (0.35) LIPEFAAHEGLN1PPARGKDM4E
SCHEMBL19070813 0.88 USP2 (0.30)
SCHEMBL10196266 0.88 USP2 (0.30)
SCHEMBL19071632 0.87 MAOA (0.36) PPARGPOLBSMN1; SMN2
SCHEMBL10196134 0.87 MAOA (0.36) PPARGPOLBSMN1; SMN2
SCHEMBL19070965 0.86 MAPK1 (0.44) LIPESCN9A
SCHEMBL10196256 0.86 MAPK1 (0.44) LIPESCN9A
SCHEMBL10196259 0.86 MAPK1 (0.44) LIPEPPARGSMN1; SMN2SCN9A
SCHEMBL19070882 0.86 MAPK1 (0.44) LIPEPPARGSMN1; SMN2SCN9A
SCHEMBL10196017 0.86 CYP1A2 (0.39) CYP3A4MAPTSMN1; SMN2

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
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed