SCHEMBL3407920

SCHEMBL3407920

COc1ccc(C(=O)c2ccccc2-n2cc(O)c3ccccc32)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
HPGD P15428 3/20 0.48
PGR P06401 2/20 0.48
SLC6A2 P23975 2/20 0.48
CYP3A4 P08684 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
AR P10275 1/20 0.48
CHRM1 P11229 1/20 0.48
ALOX15 P16050 1/20 0.48
TBXA2R P21731 1/20 0.48
ADRA1A P35348 1/20 0.48
HIF1A Q16665 1/20 0.48
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.45
USP2 O75604 1/20 0.45
CASP3 P42574 1/20 0.45

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
SCHEMBL3409035 0.89 MAPT (0.44) LMNACYP1A2CYP2C19HPGDPGR
SCHEMBL149055 0.87 NPC1 (0.47) LMNACYP1A2CYP2C19HPGDPGR
SCHEMBL16817090 0.85 NPC1 (0.43) LMNACYP1A2CYP2C19HPGDPGR
SCHEMBL16817091 0.84 HSD17B10 (0.44) HPGDNPC1RAB9APKMMAPT
SCHEMBL3402387 0.84 LMNA (0.44) LMNACYP1A2CYP2C19HPGDPGR
SCHEMBL3408784 0.80 LMNA (0.41) LMNACYP1A2CYP2C19HPGDPGR
SCHEMBL27977962 0.78 SMN1; SMN2 (0.37) LMNACYP1A2CYP2C19HPGDCYP3A4
Phosphoric Acid SCHEMBL151187 0.78 SMN1; SMN2 (0.39) LMNACYP1A2CYP2C19HPGDCYP3A4
SCHEMBL14889484 0.78 NPC1 (0.44) LMNACYP1A2CYP2C19HPGDPGR
SCHEMBL14058651 0.78 NPC1 (0.46) LMNACYP1A2CYP2C19HPGDPGR

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