SCHEMBL28596805

SCHEMBL28596805

CCC(C(=O)O)c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
HTR2A P28223 2/20 0.49
NR4A2 P43354 1/20 0.48
TSHR P16473 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1614233 0.89 SPR (0.50) F7F3HTR2ANR4A2GPR84
SCHEMBL11265914 0.86 F7 (0.54) F7F3HTR2ANR4A2GPR84
SCHEMBL6831865 0.86 F7 (0.54) F7F3NR4A2MTNR1AMTNR1B
SCHEMBL27568270 0.85 NR4A2 (0.54) F7F3HTR2ANR4A2TSHR
SCHEMBL7234600 0.81 F7 (0.58) F7F3HTR2ANR4A2MTNR1A
SCHEMBL18973648 0.80 MEN1 (0.51) F7F3NR4A2MEN1MAPT
SCHEMBL148211 0.80 MAPT (0.68) HTR2ATSHRGPR84MEN1MAPT
SCHEMBL17242126 0.80 HTR2A (0.54) F7F3HTR2ANR4A2TSHR
SCHEMBL18973603 0.78 KMT2A (0.55) F7F3MEN1MAPTPKM
2,4-Dichlorophenoxyacetic Acid SCHEMBL9541970 0.77 MAPT (0.54) TSHRGPR84MEN1MAPTPKM

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-109497083-B Medicament for removing flying cotton and fly of plants and application thereof 北京市园林科学研究院 2021-07-30 CN disclosed