SCHEMBL8893348

SCHEMBL8893348

O=C(c1ccccc1CCc1ccccc1)c1cnoc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
TSHR P16473 3/20 0.43
SCN1A P35498 3/20 0.42
SCN2A Q99250 3/20 0.42
SCN3A Q9NY46 3/20 0.42
ADRB2 P07550 1/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 1/20 0.36

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
SCHEMBL8889700 0.90 TSHR (0.42) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL8890372 0.88 FFAR4 (0.36) SCN1ASCN2ASCN3APOLBMAPT
SCHEMBL27416484 0.87 DHODH (0.35) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL8890902 0.85 RAB9A (0.39) ALDH1A1SCN1ASCN2ASCN3AKMT2A
SCHEMBL27413249 0.84 DHODH (0.35) SCN1ASCN2ASCN3ADHODH
SCHEMBL8890322 0.84 NAMPT (0.33) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL8891642 0.84 ALDH1A1 (0.39) ALDH1A1SCN1ASCN2ASCN3AKMT2A
SCHEMBL8890047 0.84 HPGD (0.39) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL9113810 0.83 KMT2A (0.38) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8890058 0.83 TAS1R3 (0.35) ALDH1A1SCN1ASCN2ASCN3AKMT2A

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-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed