SCHEMBL18558706

SCHEMBL18558706

CCCCCCCCCCC(CCCCCCCC)CCCCC(=O)c1sc2c(sc3c(CCCCC(CCCCCCCC)CCCCCCCCCC)c(C(=O)OCC)sc32)c1Br

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.40
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
AKT1 P31749 1/20 0.33
IRS1 P35568 1/20 0.33
GAB1 Q13480 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
PLA2G4A P47712 1/20 0.31
ALOX15 P16050 3/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL18558705 0.83 GPR35 (0.58) GPR35NPSR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1157064 0.81 GPR35 (0.49) GPR35NPSR1ALDH1A1MAPTAKT1
SCHEMBL1364647 0.81 GPR35 (0.49) GPR35NPSR1ALDH1A1MAPTAKT1
SCHEMBL1157118 0.81 GPR35 (0.49) GPR35NPSR1ALDH1A1MAPTAKT1
SCHEMBL1365121 0.81 GPR35 (0.49) GPR35NPSR1ALDH1A1MAPTAKT1
SCHEMBL13961926 0.76 GPR35 (0.65) GPR35NPSR1SMN1; SMN2MAPTAKT1
SCHEMBL1365090 0.76 CES2 (0.47) GPR35PLA2G4A
SCHEMBL1364678 0.76 CES2 (0.47) GPR35PLA2G4A
SCHEMBL1363701 0.76 CES2 (0.47) GPR35PLA2G4A
SCHEMBL17985022 0.75 GPR35 (0.59) GPR35LMNAMAPT

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
US-9580556-B2 DPP with branched alkyl-chain or (and) fused thiophene with branched alkyl-chain and the related designing strategy to increase the molecular weight of their semi-conducting copolymers CORNING INCORPORATED (US) 2017-02-28 US disclosed