SCHEMBL8077879

SCHEMBL8077879

C=CCCCCCc1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CALM1 P0DP23 1/20 0.53
IGF1R P08069 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
ALOX5 P09917 1/20 0.45
MAOB P27338 2/20 0.44
THRB P10828 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
AOC3 Q16853 1/20 0.43

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
SCHEMBL8076536 1.00 ALOX15 (0.56) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL8076317 1.00 ALOX15 (0.56) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL8076016 1.00 ALOX15 (0.56) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL6056697 0.98 ALOX15 (0.58) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL8062950 0.93 ALOX15 (0.60) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL7791373 0.86 ALDH1A1 (0.46) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL7791370 0.86 ALDH1A1 (0.46) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL4905134 0.85 ALDH1A1 (0.64) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL17400406 0.84 CALM1 (0.69) ALOX15CALM1IGF1RTDP1L3MBTL1
SCHEMBL12989712 0.84 TDP1 (0.52) ALDH1A1TP53CYP3A4TSHRTDP1

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