SCHEMBL28612818

SCHEMBL28612818

O=C(O)C1=CCC(C(=O)O)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
LMNA P02545 3/20 0.51
CES2 O00748 2/20 0.44
OAT P04181 1/20 0.41
GABRR1 P24046 2/20 0.39
SRD5A2 P31213 1/20 0.38
CES1 P23141 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL28630710 1.00 TSHR (0.51) TSHRLMNACES2OATGABRR1
SCHEMBL12491773 0.98 TSHR (0.53) TSHRLMNACES2OATGABRR1
SCHEMBL12491771 0.98 TSHR (0.53) TSHRLMNACES2OATGABRR1
SCHEMBL12491776 0.93 TSHR (0.54) TSHRLMNACES2OATGABRR1
SCHEMBL819619 0.85 TSHR (0.68) TSHRLMNACES2OATGABRR1
SCHEMBL28247061 0.84 OAT (0.40) TSHRLMNACES2OATGABRR1
SCHEMBL8678742 0.84 HDAC2 (0.44) TSHRLMNACES2OATGABRR1
SCHEMBL11015837 0.82 HDAC4 (0.43) TSHRLMNACES2OATGABRR1
SCHEMBL28247058 0.82 OAT (0.41) TSHRLMNACES2OATGABRR1
SCHEMBL10938780 0.78 TSHR (0.46) TSHRLMNACES2OATGABRR1

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-108699380-B Granulating stabilizer for multi-color pattern coating 圣诺普科有限公司 2021-09-03 CN disclosed