SCHEMBL9719442

SCHEMBL9719442

COC(=O)CC1(C#N)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 4/20 0.37
HSD17B10 Q99714 2/20 0.37
DPP4 P27487 5/20 0.35
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL29124603 0.96 TSHR (0.37) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL25452830 0.92 TSHR (0.39) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL3910882 0.80 ALDH1A1 (0.41) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL16914465 0.80 OPRM1 (0.36) ALDH1A1TSHRHSD17B10CYP3A4TP53
SCHEMBL7158468 0.79 CTSK (0.37) ALDH1A1MAPTDPP4OPRM1OPRL1
SCHEMBL4755383 0.78 TSHR (0.34) TSHRHSD17B10DPP4TP53MGAM
SCHEMBL17446960 0.78 OPRM1 (0.36) ALDH1A1MAPTTSHRHSD17B10OPRM1
SCHEMBL31345064 0.77 TSHR (0.37) TSHRHSD17B10CYP3A4TP53MGAM
SCHEMBL14559630 0.77 TSHR (0.33) TSHRHSD17B10DPP4TP53EPHX2
SCHEMBL2805815 0.75 CYP2C19 (0.45) KDM4EALDH1A1MAPTTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135927-A 2-chloro-4-trifluoromethylthiazol-5-carboxylic acid CIBA-GEIGY CORPORATION (US) 1992-08-04 US disclosed
US-4992434-A Prevention of infestation of plants by phytopathogenic microorganisms CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed