SCHEMBL8072545

SCHEMBL8072545

C=CCCCCCc1ccc(OCCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
THRB P10828 4/20 0.51
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
THRA P10827 3/20 0.45
PLA2G4A P47712 1/20 0.45
NR5A1 Q13285 1/20 0.45
S1PR4 O95977 2/20 0.44
S1PR1 P21453 2/20 0.44
S1PR5 Q9H228 2/20 0.44

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
SCHEMBL8062725 1.00 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL8062707 1.00 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL8072706 1.00 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL8078002 0.98 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL8078008 0.95 MEN1 (0.51) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL8071480 0.95 MEN1 (0.51) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL8072816 0.95 MEN1 (0.51) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL8076261 0.95 MEN1 (0.51) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL8072896 0.94 LMNA (0.50) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL8077926 0.93 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AUSP2LMNA

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