SCHEMBL8076261

SCHEMBL8076261

C=CCCCCCc1ccc(OCCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
USP2 O75604 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
THRB P10828 3/20 0.47
PLA2G4A P47712 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TSHR P16473 1/20 0.41
THRA P10827 2/20 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
SCHEMBL8078008 1.00 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL8072816 1.00 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL8071480 1.00 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL8072896 0.98 LMNA (0.50) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL8072545 0.95 ALDH1A1 (0.56) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL8062707 0.95 ALDH1A1 (0.56) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL8062725 0.95 ALDH1A1 (0.56) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL8072706 0.95 ALDH1A1 (0.56) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL8062365 0.94 L3MBTL1 (0.51) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL8078002 0.94 ALDH1A1 (0.54) MEN1KMT2ALMNAALDH1A1USP2

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
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed