SCHEMBL28050985

SCHEMBL28050985

CCC(=O)CC.N#Cc1ccc(CCC(=O)CCc2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
IAPP P10997 3/20 0.47
FFAR1 O14842 5/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
HTT P42858 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
CTBP2 P56545 1/20 0.41
F2RL1 P55085 1/20 0.41
FFAR4 Q5NUL3 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
SCHEMBL7338789 0.91 FFAR1 (0.53) CYP2A6FFAR1TSHRHSD17B10MMP12
SCHEMBL5831340 0.90 IAPP (0.54) CYP2A6IAPPFFAR1RAB9ATSHR
SCHEMBL16887632 0.80 CYP2A6 (0.55) CYP2A6RAB9ATSHRHSD17B10LOXL2
SCHEMBL1507376 0.80 ALDH1A1 (0.57) CYP2A6FFAR1RAB9ATSHRHSD17B10
SCHEMBL1337387 0.78 FFAR1 (0.69) FFAR1MMP12MMP13HTTFFAR4
SCHEMBL4506493 0.77 CYP4F2 (0.66) CYP2A6FFAR1RAB9ATSHRHSD17B10
SCHEMBL2412668 0.77 FFAR1 (0.50) CYP2A6FFAR1TSHRHSD17B10MMP12
SCHEMBL2339114 0.77 FFAR1 (0.50) CYP2A6FFAR1TSHRHSD17B10MMP12
Hydrochloric Acid SCHEMBL7956222 0.77 FFAR1 (0.67) FFAR1MMP12MMP13HTTFFAR4
SCHEMBL5315290 0.77 FFAR1 (0.50) CYP2A6FFAR1MMP12MMP13LOXL2

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-105636957-A Tetrazolinone compound and application for same SUMITOMO CHEMICAL CO 2016-06-01 CN disclosed