SCHEMBL11048017

SCHEMBL11048017

C=CC(=O)OC(CO)COc1ccc(Br)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 2/20 0.38
CTSL P07711 1/20 0.37
HTR1B P28222 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL29734579 0.83 SMN1; SMN2 (0.36) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL4758404 0.83 SMN1; SMN2 (0.36) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL10794515 0.83 THRB (0.35)
SCHEMBL8063043 0.78 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL5085699 0.77 GRM4 (0.41) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL4789470 0.75 THRB (0.40) HPGDALDH1A1MAPT
SCHEMBL29904785 0.74 THRB (0.51) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL446746 0.74 THRB (0.51) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL18492245 0.74 KDM4E (0.52) SMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL10489299 0.74 LMNA (0.52) SMN1; SMN2LMNAALDH1A1TDP1L3MBTL1

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-4487904-A Urethanized acrylic resin material for plastic lens and lens composed thereof TORAY INDUSTRIES, INC. (JP) 1984-12-11 US disclosed