SCHEMBL8010016

SCHEMBL8010016

O=C(O)CC(F)(F)C(=O)c1ccc2oc3cc(Br)ccc3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
ADORA2A P29274 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 1/20 0.35
LMNA P02545 1/20 0.34
KCNH2 Q12809 1/20 0.34
TTR P02766 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
PIM1 P11309 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL8009670 0.85 TTR (0.49) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8015805 0.82 SLC22A12 (0.42) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23693530 0.79 TTR (0.53) MAPTNPC1ADORA2ACASP1RAB9A
SCHEMBL8000595 0.76 LMNA (0.48) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8000361 0.74 BCAT1 (0.44) MAPTNPC1RAB9AIDO1LMNA
SCHEMBL29886929 0.73 TTR (0.56) MAPTNPC1ADORA2ACASP1RAB9A
SCHEMBL23693577 0.73 TTR (0.56) MAPTNPC1ADORA2ACASP1RAB9A
SCHEMBL23693559 0.71 TSHR (0.49) MAPTCASP1SMN1; SMN2IDO1KCNH2
SCHEMBL8954362 0.71 TTR (0.57) NPC1RAB9ATTRALDH1A1HPGD
SCHEMBL8009574 0.71 LMNA (0.45) NPC1RAB9AIDO1LMNATTR

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-6037361-A GELATINASE, STROMELYSIN, COLLAGENASE, AND MATRILYSIN INHIBITORS; MULTIPLE SCLEROSIS TREATMENT; BRAIN AND NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-03-14 US claimed
US-6037361-A GELATINASE, STROMELYSIN, COLLAGENASE, AND MATRILYSIN INHIBITORS; MULTIPLE SCLEROSIS TREATMENT; BRAIN AND NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-03-14 US disclosed