SCHEMBL9501302

SCHEMBL9501302

NCC=COc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.50
AOC3 Q16853 2/20 0.50
PLA2G2A P14555 1/20 0.50
MAOA P21397 1/20 0.48
TSHR P16473 1/20 0.48
MAOB P27338 1/20 0.47
NR1H2 P55055 1/20 0.43
BAX Q07812 1/20 0.43
HRH1 P35367 1/20 0.43
SOS1 Q07889 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PARP10 Q53GL7 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
SCHEMBL527141 0.94 AOC3 (0.55) LTA4HAOC3PLA2G2AMAOATSHR
SCHEMBL7969598 0.94 AOC3 (0.55) LTA4HAOC3PLA2G2AMAOATSHR
SCHEMBL326201 0.80 MAOB (0.57) LTA4HAOC3MAOAMAOBCA1
SCHEMBL5207997 0.75 LTA4H (0.52) LTA4HPLA2G2AMAOATSHRNR1H2
SCHEMBL11301704 0.74 TAAR1 (0.41) LTA4HAOC3PLA2G2AMAOATSHR
SCHEMBL8572677 0.73 IDO1 (0.53) LTA4HAOC3PLA2G2AMAOATSHR
SCHEMBL21879901 0.73 PKM (0.44) TSHRSOS1CA1CA2CA9
SCHEMBL11541783 0.73 LTA4H (0.45) LTA4HAOC3MAOATSHRMAOB
SCHEMBL11541789 0.73 LTA4H (0.45) LTA4HAOC3MAOATSHRMAOB
SCHEMBL11559191 0.72 LTA4H (0.42) LTA4HAOC3PLA2G2AMAOATSHR

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-0412391-B1 CYCLOPROPANE THIOCARBOXYLIC ACID AMIDES BASF Aktiengesellschaft (DE) 1993-09-29 EP claimed
EP-0350688-B1 CYCLOPROPANE CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE TO COMBAT PESTS BASF Aktiengesellschaft (DE) 1993-04-14 EP claimed
JP-3135953-A None JP disclosed
JP-H03135953-A CYCLOPROPANETHIOCARBOXAMIDES BASF AG 1991-06-10 JP disclosed