SCHEMBL28860431

SCHEMBL28860431

O=C(O)C1(Cl)Cc2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
HDAC9 Q9UKV0 1/20 0.34
CXCR5 P32302 3/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 2/20 0.33
HRH1 P35367 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL28860430 0.76 HTR2A (0.39) TRPM8LMNAHDAC9CXCR5POLB
SCHEMBL26656365 0.75 TRPM8 (0.37) TRPM8LMNASIGMAR1HDAC9POLB
SCHEMBL3520901 0.75 POLB (0.47) TRPM8LMNAHTTHDAC9POLB
SCHEMBL11495165 0.75 ALOX15 (0.41) LMNAHTTSMN1; SMN2
SCHEMBL10934019 0.73 LMNA (0.49) TRPM8LMNAHTTPOLBL3MBTL1
SCHEMBL4383885 0.72 PPARA (0.43) TRPM8LMNACXCR5POLBL3MBTL1
SCHEMBL2023897 0.72 MAOA (0.42) LMNASIGMAR1HTR2ACYP2D6TSHR
Acetic Acid SCHEMBL28604975 0.71 LMNA (0.42) TRPM8LMNAPOLBL3MBTL1PKM
SCHEMBL444321 0.71 CYP2D6 (0.36) TRPM8LMNASIGMAR1POLBL3MBTL1
SCHEMBL3380544 0.71 PPARA (0.44) LMNACYP2D6TSHRCYP2C19CYP1A2

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-104884453-B Anthelmintic compounds and compositions and methods of using the same 梅里亚股份有限公司 2018-06-22 CN disclosed