SCHEMBL8652143

SCHEMBL8652143

Oc1ccc(Oc2ccc(F)cc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
SOS1 Q07889 2/20 0.46
SCN9A Q15858 1/20 0.45
HSD17B3 P37058 1/20 0.44
HSD17B2 P37059 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPARA Q07869 5/20 0.42
PPARG P37231 3/20 0.42
S1PR2 O95136 1/20 0.42
PPARD Q03181 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL258619 0.88 HSP90AA1 (0.57) HSP90AA1SOS1TSHRHSD17B10CA1
SCHEMBL9445002 0.87 HSP90AA1 (0.50) HSP90AA1SOS1SCN9AHSD17B3HSD17B2
SCHEMBL9623378 0.84 ESR1 (0.58) HSP90AA1TSHRHSD17B10CA1CA2
SCHEMBL27540591 0.84 CACNA1C (0.44) HSP90AA1SOS1SCN9APPARAPPARG
SCHEMBL9467645 0.84 FFAR1 (0.45) HSP90AA1SOS1SCN9ATSHRHSD17B10
SCHEMBL7083294 0.82 LTA4H (0.54) HSP90AA1TSHRHSD17B10CA1CA2
SCHEMBL9445013 0.82 HSP90AA1 (0.68) HSP90AA1TSHRHSD17B10CA1CA2
SCHEMBL27486568 0.82 FFAR1 (0.48) PPARAPPARD
SCHEMBL10704059 0.81 CA1 (0.61) HSP90AA1SOS1TSHRHSD17B10CA1
SCHEMBL13048707 0.81 HSP90AA1 (0.47) HSP90AA1SOS1TSHRHSD17B10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584046-B1 Carbamic acid amide derivatives and their use as pesticides CIBA GEIGY AG (CH) 1998-10-07 EP disclosed
US-5648494-A INSECTICIDES OR PESTICIDES CIBA-GEIGY CORPORATION (US) 1997-07-15 US disclosed
US-5393885-A Agrichemical active materials useful in pest control CIBA-GEIGY CORPORATION (US) 1995-02-28 US disclosed
EP-0584046-A1 Carbamic acid amide derivatives and their use as pesticides CIBA-GEIGY AG (CH) 1994-02-23 EP disclosed