SCHEMBL11516907

SCHEMBL11516907

CC(C)(c1cc(Br)c(OCC(O)CO)c(Br)c1)c1cc(Br)c(OCC(O)CO)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
AR P10275 6/20 0.52
TSHR P16473 3/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP1 P29466 1/20 0.43
RECQL P46063 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
VDR P11473 8/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 1/20 0.38
AGTR1 P30556 1/20 0.38
LMNA P02545 1/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL677415 0.87 ALDH1A1 (0.60) ALDH1A1ARTSHRCYP3A4HPGD
SCHEMBL14601519 0.87 ALDH1A1 (0.60) ALDH1A1ARTSHRCYP3A4HPGD
SCHEMBL12197650 0.87 ALDH1A1 (0.60) ALDH1A1ARTSHRCYP3A4HPGD
SCHEMBL19459814 0.86 AR (0.79) ALDH1A1ARTSHRHIF1AVDR
SCHEMBL19460224 0.86 AR (0.79) ALDH1A1ARTSHRHIF1AVDR
SCHEMBL19459723 0.86 AR (0.79) ALDH1A1ARTSHRHIF1AVDR
SCHEMBL19459635 0.86 AR (0.79) ALDH1A1ARTSHRHIF1AVDR
SCHEMBL19459637 0.86 AR (0.79) ALDH1A1ARTSHRHIF1AVDR
SCHEMBL12134362 0.86 ALDH1A1 (0.59) ALDH1A1ARTSHRCYP3A4HPGD
SCHEMBL14252079 0.86 HIF1A (0.59) ALDH1A1ARTSHRCYP3A4HPGD

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-4134814-A Halogenated photopolymerizable adhesives UCB, SOCIETE ANONYME (BE) 1979-01-16 US disclosed
US-4134811-A Halogenated photopolymerizable compositions UCB, SOCIETE ANONYME (BE) 1979-01-16 US disclosed