SCHEMBL8077529

SCHEMBL8077529

C=CCc1ccc(OCCC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
ALOX12 P18054 1/20 0.60
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LTA4H P09960 1/20 0.47
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
CNR2 P34972 1/20 0.44
CA12 O43570 1/20 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
SCHEMBL8072799 0.92 TSHR (0.60) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL4662932 0.87 NR5A1 (0.56) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL627031 0.84 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL8912079 0.84 MAPT (0.60) SMN1; SMN2CYP3A4TSHRLMNAL3MBTL1
SCHEMBL23269519 0.83 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL7166779 0.82 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL27792511 0.82 LMNA (0.50) SMN1; SMN2ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL6869710 0.82 LMNA (0.54) SMN1; SMN2ALDH1A1TSHRLMNAL3MBTL1
SCHEMBL9811776 0.82 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL8070952 0.81 LMNA (0.54) SMN1; SMN2ALDH1A1CYP3A4LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104769038-B Polycarbonate resin composition and molded article 出光兴产株式会社 2017-06-30 CN disclosed
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