SCHEMBL18558705

SCHEMBL18558705

CCCCCCCCCCC(CCCCCCCC)CCCCc1c(C(=O)OCC)sc2c1sc1c(Br)csc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.58
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
AKT1 P31749 1/20 0.36
IRS1 P35568 1/20 0.36
GAB1 Q13480 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
PLA2G4A P47712 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL13961926 0.93 GPR35 (0.65) GPR35AKT1IRS1GAB1L3MBTL1
SCHEMBL14645853 0.88 GPR35 (0.74) GPR35AKT1IRS1GAB1L3MBTL1
SCHEMBL1593215 0.88 GPR35 (0.74) GPR35AKT1IRS1GAB1L3MBTL1
SCHEMBL14645768 0.88 GPR35 (0.74) GPR35AKT1IRS1GAB1L3MBTL1
SCHEMBL12374321 0.88 GPR35 (0.74) GPR35AKT1IRS1GAB1L3MBTL1
SCHEMBL18558706 0.83 GPR35 (0.40) GPR35PRSS1PRSS2PRSS3AKT1
SCHEMBL1157118 0.82 GPR35 (0.49) GPR35AKT1IRS1GAB1L3MBTL1
SCHEMBL1365121 0.82 GPR35 (0.49) GPR35AKT1IRS1GAB1L3MBTL1
SCHEMBL1364647 0.82 GPR35 (0.49) GPR35AKT1IRS1GAB1L3MBTL1
SCHEMBL1157064 0.82 GPR35 (0.49) GPR35AKT1IRS1GAB1L3MBTL1

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