SCHEMBL4862450

SCHEMBL4862450

O=C(O)Oc1cc(Br)c(-c2cc(OC(=O)O)c(OC(=O)O)cc2Br)cc1OC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TNFSF11 O14788 1/20 0.35
TTR P02766 1/20 0.32
AKR1B1 P15121 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
NCEH1 Q6PIU2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL323191 0.77 TNFSF11 (0.39) LCKFYNTSHRHSD17B10TNFSF11
SCHEMBL4865955 0.73 MAPK1 (0.36) TSHRTNFSF11TTRAKR1B1ALDH1A1
SCHEMBL21757360 0.72 LCK (0.53) LCKFYNTSHRTNFSF11ALDH1A1
SCHEMBL17026756 0.72 LCK (0.36) LCKFYNTSHRHSD17B10
SCHEMBL4872430 0.72 KDM4E (0.35) TSHRTNFSF11PKMALDH1A1KDM4E
SCHEMBL5589472 0.70 LCK (0.38) LCKFYNTSHRHSD17B10TTR
SCHEMBL6053641 0.68 TTR (0.53) TSHRTTRPKMALDH1A1RAB9A
SCHEMBL21757362 0.68 GALR3 (0.42) LCKFYNTSHRHSD17B10ALDH1A1
SCHEMBL17360800 0.68 CYP1A2 (0.45) LCKFYNTSHRHSD17B10PKM
SCHEMBL57100 0.68 KMT2A (0.44) TSHRHSD17B10ALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7471360-B2 Liquid crystal display device KONICA MINOLTA OPTO, INC. (JP) 2008-12-30 US disclosed
US-20070046870-A1 Liquid crystal display device KONICA MINOLTA OPTO, INC. 2007-03-01 US disclosed