SCHEMBL8618327

SCHEMBL8618327

Cc1cc(C)cc(OCc2ccccc2CCl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 2/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TMPRSS6 Q8IU80 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
MAOB P27338 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
MAOA P21397 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8622258 0.86 MAOB (0.47) MAOBMAOARAB9AKMT2A
SCHEMBL1539419 0.84 ACHE (0.40) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL1539409 0.84 LMNA (0.50) SMN1; SMN2F2PRSS1PRSS2PRSS3
SCHEMBL1539415 0.81 THRA (0.42) MAOBL3MBTL1MEN1RAB9AKMT2A
SCHEMBL8623315 0.79 POLB (0.47) SMN1; SMN2F2PRSS1PRSS2PRSS3
SCHEMBL1539440 0.79 SMN1; SMN2 (0.50) SMN1; SMN2F2PRSS1PRSS2PRSS3
SCHEMBL14018700 0.79 MAOB (0.54) SMN1; SMN2MAOBTDP1RAB9A
SCHEMBL8590315 0.78 GRM5 (0.41) GRM5SMN1; SMN2F2MAOB
SCHEMBL8624161 0.77 MAPT (0.49) SMN1; SMN2MAOBL3MBTL1MAOAMEN1
SCHEMBL2561446 0.76 LIPG (0.41) GRM5SMN1; SMN2F2MAOBL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed