SCHEMBL17849115

SCHEMBL17849115

CCC(C)COc1cc2c(cc1OCC(C)CC)C1(c3cc(/C=C/c4ccccc4)ccc3-c3ccc(/C=C/c4ccc(C)cc4)cc31)c1cc(OCC(C)CC)c(OCC(C)CC)cc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
MTOR P42345 2/20 0.36
CYP3A4 P08684 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IGF1R P08069 1/20 0.35
LMNA P02545 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
HPGD P15428 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL14306944 0.97 NFE2L2 (0.34) PDK2MTORCYP3A4NPC1TP53
SCHEMBL18062069 0.94 PDE4B (0.35) IGF1RTLR8NFE2L2AKR1C3TUBB1
SCHEMBL19007776 0.90 IGF1R (0.31) PDK2IGF1RSMN1; SMN2NFE2L2
SCHEMBL679086 0.87 TUBB4A (0.34) PDK2IGF1RCHRNA7TLR8TUBB1
SCHEMBL13956686 0.84
SCHEMBL4546505 0.84 TLR8 (0.36) PDK2IGF1RKDM4ETDP1TLR8
SCHEMBL12595641 0.84 TLR8 (0.36) PDK2IGF1RKDM4ETDP1TLR8
SCHEMBL17153143 0.83 TLR8 (0.38) PDK2NPC1IGF1RTLR8
SCHEMBL13205036 0.83 TLR8 (0.38) PDK2NPC1IGF1RTLR8
SCHEMBL12522293 0.82 TUBB4A (0.31) IGF1RCHRNA7TUBB1

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-9373807-B2 Radiative fibers MERCK PATENT GMBH (DE) 2016-06-21 US disclosed