SCHEMBL28601067

SCHEMBL28601067

C=C(C(=O)O)c1ccc(Cl)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
CASP1 P29466 1/20 0.46
MYC P01106 2/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CYP11B2 P19099 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
SRD5A2 P31213 1/20 0.41
GPR27 Q9NS67 1/20 0.41
NR4A1 P22736 1/20 0.40

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
SCHEMBL28601069 0.85 ALDH1A1 (0.46) SMN1; SMN2TSHRCASP1MYCHTR2A
SCHEMBL15462524 0.81 CYP2A6 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL28674889 0.81 ALDH1A1 (0.50) FLT1FLT4KDRSMN1; SMN2TSHR
SCHEMBL481450 0.81 TSHR (0.64) FLT1FLT4KDRSMN1; SMN2TSHR
SCHEMBL109654 0.80 SMN1; SMN2 (0.63) FLT1FLT4KDRSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL14660084 0.79 SMN1; SMN2 (0.61) FLT1FLT4KDRSMN1; SMN2TSHR
SCHEMBL11255876 0.79 FLT1 (0.50) FLT1FLT4KDRSMN1; SMN2TSHR
SCHEMBL250256 0.78 FLT1 (0.53) FLT1FLT4KDRSMN1; SMN2TSHR
SCHEMBL29259275 0.78 SMN1; SMN2 (0.46) SMN1; SMN2TSHRCASP1CYP11B2NPC1
SCHEMBL27825873 0.78 MAPT (0.44) KDRTSHRCASP1NPC1ALDH1A1

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-112996388-A Microcapsule composition, method for producing same, pesticide preparation containing microcapsule composition, and method for controlling weeds 组合化学工业株式会社 2021-06-18 CN disclosed