SCHEMBL9728104

SCHEMBL9728104

CC(C)c1cccc(C(C)C)c1-n1nn[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
DPP4 P27487 5/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
ANPEP P15144 5/20 0.37
FAAH O00519 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GABRA1 P14867 1/20 0.34
HPGD P15428 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL18504540 0.80 FAAH (0.36) DAOTSHRALDH1A1FAAHCA1
SCHEMBL9729023 0.80 BCL2 (0.36) FAAHLMNAPTGS1MGLL
SCHEMBL8977225 0.77 ALDH1A1 (0.39) DAODPP4TSHRALDH1A1ALOX15
SCHEMBL9728529 0.75 XIAP (0.36) ALDH1A1CYP1A2CYP3A4
SCHEMBL8600146 0.74 HCAR1 (0.37) DAO
SCHEMBL8910664 0.74 FEN1 (0.37) ALDH1A1LMNAMGLL
SCHEMBL18504537 0.73 CTSK (0.42) ALDH1A1ALOX15CA1CA2CYP3A4
SCHEMBL5906077 0.71 TDP1 (0.51) ALDH1A1LMNAPTGS1MGLL
SCHEMBL8598961 0.71 MAPK11 (0.39) DAOTSHRALDH1A1ALOX15LMNA
SCHEMBL8917531 0.71 ALDH1A1 (0.34) DAOTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5138068-A Pesticide CIBA-GEIGY CORPORATION (US) 1992-08-11 US disclosed
US-5066667-A Controlling insects and arachnids CIBA-GEIGY CORPORATION (US) 1991-11-19 US disclosed
EP-0406163-A1 Thioxotetrazolines CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed