SCHEMBL3409035

SCHEMBL3409035

COc1ccc(C(=O)c2ccccc2-n2cc(O)c3ccc(Cl)cc32)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HIF1A Q16665 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PGR P06401 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
CHRM1 P11229 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA1A P35348 1/20 0.44
NPC1 O15118 6/20 0.42
RAB9A P51151 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL3407920 0.89 LMNA (0.48) MAPTSMN1; SMN2HIF1ALMNACYP1A2
SCHEMBL3407763 0.84 ALDH1A1 (0.53) MAPTSMN1; SMN2LMNACYP1A2PGR
SCHEMBL3402387 0.82 LMNA (0.44) MAPTSMN1; SMN2HIF1ALMNACYP1A2
SCHEMBL3402854 0.80 ALDH1A1 (0.48) MAPTCYP3A4HPGDNPC1RAB9A
SCHEMBL3408784 0.80 LMNA (0.41) MAPTSMN1; SMN2HIF1ALMNACYP1A2
SCHEMBL3409107 0.80 GAA (0.44) MAPTLMNATSHRKMT2AALDH1A1
SCHEMBL153422 0.79 SLC5A1 (0.44) NPC1RAB9AKMT2AMEN1ACHE
SCHEMBL153423 0.79 SLC5A1 (0.44) NPC1RAB9AKMT2AMEN1ACHE
SCHEMBL27856158 0.79 SLC5A1 (0.44) NPC1RAB9AKMT2AMEN1ACHE
SCHEMBL3402632 0.78 HTT (0.45) MAPTSMN1; SMN2LMNAHPGDALOX15

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
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed