SCHEMBL9116732

SCHEMBL9116732

Cc1ccc(OCc2ccccc2S)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.46
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
FFAR4 Q5NUL3 7/20 0.41
FFAR1 O14842 4/20 0.41

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
SCHEMBL13793923 0.83 L3MBTL1 (0.51) L3MBTL1MAPTSMN1; SMN2HPGDTSHR
SCHEMBL2288552 0.81 FFAR4 (0.60) L3MBTL1MAPTSMN1; SMN2HPGDTSHR
SCHEMBL30023195 0.81 FFAR4 (0.60) L3MBTL1MAPTSMN1; SMN2HPGDTSHR
SCHEMBL17616639 0.81 L3MBTL1 (0.49) L3MBTL1MAPTSMN1; SMN2HPGDTSHR
SCHEMBL8624560 0.81 L3MBTL1 (0.49) L3MBTL1MAPTSMN1; SMN2HPGDTSHR
SCHEMBL12894347 0.78 FFAR4 (0.48) L3MBTL1MAPTSMN1; SMN2HPGDTSHR
SCHEMBL2554682 0.78 L3MBTL1 (0.47) L3MBTL1MAPTSMN1; SMN2HPGDTSHR
SCHEMBL9666257 0.77 PLAU (0.49) L3MBTL1MAPTSMN1; SMN2HPGDTSHR
SCHEMBL1539551 0.77 CDK4 (0.49) L3MBTL1MAPTSMN1; SMN2HPGDTSHR
SCHEMBL8595952 0.77 L3MBTL1 (0.46) L3MBTL1MAPTSMN1; SMN2HPGDTSHR

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
WO-1995011226-A1 SUBSTITUTED BENZENE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND BIOCIDAL COMPOSITION FOR CONTROL OF HARMFUL ORGANISMS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1995-04-27 WO disclosed