SCHEMBL9729257

SCHEMBL9729257

COC(C)Cc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KMT2A Q03164 1/20 0.39
CYP2A13 Q16696 1/20 0.38
SLC6A3 Q01959 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
ACHE P22303 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM2 P08172 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
SCHEMBL6900865 0.87 GABRA1 (0.38) TAAR1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL22361192 0.85 TAAR1 (0.43) TAAR1SLC6A2SLC6A4LMNAKDM4E
SCHEMBL18658983 0.81 TAAR1 (0.43) TAAR1SLC6A2SLC6A4LMNAKDM4E
SCHEMBL17580770 0.79 PPARG (0.40) TAAR1SLC6A2SLC6A4KDM4EPPARG
SCHEMBL508570 0.78 GABRA1 (0.54) TAAR1SLC6A2SLC6A4PPARGPPARA
SCHEMBL29560806 0.78 GABRA1 (0.54) TAAR1SLC6A2SLC6A4PPARGPPARA
SCHEMBL5499384 0.78 GABRA1 (0.54) TAAR1SLC6A2SLC6A4PPARGPPARA
SCHEMBL6205188 0.78 LMNA (0.43) TAAR1SLC6A2SLC6A4LMNAKDM4E
SCHEMBL6205184 0.78 LMNA (0.43) TAAR1SLC6A2SLC6A4LMNAKDM4E
SCHEMBL1840025 0.78 HSPA5 (0.46) TAAR1SLC6A2SLC6A4SLC6A3CYP3A4

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
US-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed