SCHEMBL28039718

SCHEMBL28039718

CCCCc1sc(C(=O)O)c(C)c1Br

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 11/20 0.45
HCAR2 Q8TDS4 1/20 0.40
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 1/20 0.33
RARB P10826 1/20 0.33
PTPN1 P18031 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
SCHEMBL29061340 0.72 GPR35 (0.53) GPR35HCAR2PKMNPSR1TSHR
SCHEMBL17353542 0.71 GPR35 (0.56) GPR35RARB
SCHEMBL4753776 0.70 GPR35 (0.68) GPR35PKMNPSR1RXFP1TSHR
SCHEMBL2727696 0.70 GPR35 (0.66) GPR35PKMNPSR1RXFP1TSHR
SCHEMBL6065355 0.69 GPR35 (0.43) GPR35RARB
SCHEMBL2225099 0.69 CYP3A4 (0.44) GPR35PKMNPSR1RXFP1PTPN1
SCHEMBL25195925 0.67 GPR35 (0.53) GPR35PKMNPSR1RXFP1TSHR
SCHEMBL406992 0.67 GPR35 (0.70) GPR35PKMNPSR1RXFP1
SCHEMBL1030733 0.66 GPR35 (0.64) GPR35HCAR2RARB
SCHEMBL27512413 0.66 PKM (0.58) GPR35HCAR2PKMNPSR1RXFP1

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-105073761-A Substituted silaxanthenium red to near-infrared fluorochromes for in vitro and in vivo imaging and detection VISEN MEDICAL INC 2015-11-18 CN disclosed