SCHEMBL9807482

SCHEMBL9807482

O=C(O)c1ccc(C(=O)OCC(Br)CBr)c(CC(Br)CBr)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.36
ACE2 Q9BYF1 4/20 0.33
PTPN1 P18031 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
SLC1A5 Q15758 1/20 0.30

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
SCHEMBL27860101 0.86 KDM4E (0.41) MAPTALDH1A1TSHRMAPK1ACE2
SCHEMBL28237115 0.85 ALDH1A1 (0.44) MAPTALDH1A1TSHRMAPK1ACE2
SCHEMBL10402323 0.85 ALDH1A1 (0.44) MAPTALDH1A1TSHRMAPK1ACE2
SCHEMBL6577941 0.81 MAPT (0.40) MAPTALDH1A1TSHRMAPK1ACE2
SCHEMBL28004772 0.78 MAPT (0.57) MAPTALDH1A1TSHRMAPK1PTPN1
SCHEMBL4064413 0.77 ALDH1A1 (0.57) MAPTALDH1A1TSHRMAPK1PTPN1
SCHEMBL8581242 0.76 MAPT (0.44) MAPTALDH1A1TSHRMAPK1ACE2
SCHEMBL94551 0.75 ALDH1A1 (0.36) MAPTALDH1A1TSHRMAPK1LMNA
SCHEMBL4810197 0.75 ALDH1A1 (0.48) MAPTALDH1A1PTPN1LMNAADRB2
SCHEMBL4811737 0.75 ALDH1A1 (0.40) MAPTALDH1A1TSHRMAPK1PTPN1

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
US-5002702-A For polypropylene fibers or foils SANDOZ LTD. (CH) 1991-03-26 US disclosed