SCHEMBL28075186

SCHEMBL28075186

CC(C)=CCCCc1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.47
SLC6A4 P31645 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MGLL Q99685 1/20 0.44
HSPA5 P11021 1/20 0.43
HTR1A P08908 1/20 0.43
IAPP P10997 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL3080064 0.89 TAAR1 (0.50) MPOSLC6A4TAAR1HSPA5HTR1A
Geraniol SCHEMBL15012743 0.78 MEN1 (0.50) SLC6A4HTR1A
SCHEMBL16749883 0.77 SRC (0.51) CYP2D6TSHR
SCHEMBL3800530 0.77 TAAR1 (0.65) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL4967651 0.77 TAAR1 (0.65) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL5538659 0.77 MPO (0.50) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL1305008 0.77 MPO (0.55) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL28148484 0.76 BID (0.51) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL1967302 0.76 HTT (0.53) TAAR1HSPA5CYP2D6TSHRHIF1A
SCHEMBL8401990 0.75 MGLL (0.66) MPOSLC6A4TAAR1MGLLHSPA5

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
CN-102876295-B Difluoromethane and the Azeotrope-like compositions of CF3I 霍尼韦尔国际公司 2016-08-17 CN disclosed