SCHEMBL9545150

SCHEMBL9545150

[CH2]Oc1ccc(C(=O)c2ccc(OC)cc2OC)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.82
LMNA P02545 3/20 0.69
KMT2A Q03164 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C19 P33261 2/20 0.69
MEN1 O00255 1/20 0.69
CYP3A4 P08684 1/20 0.69
TSHR P16473 1/20 0.69
HTT P42858 4/20 0.64
MAPT P10636 4/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 1/20 0.60
POLB P06746 2/20 0.56
GAA P10253 1/20 0.51
PGR P06401 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
SLC6A2 P23975 1/20 0.51
PDE4A P27815 1/20 0.51

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
SCHEMBL5902231 0.90 NPC1 (1.00) NPC1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL29414999 0.90 NPC1 (1.00) NPC1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL854757 0.86 NPC1 (0.84) NPC1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL29394510 0.86 NPC1 (0.84) NPC1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL21709893 0.86 NPC1 (0.84) NPC1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL29870064 0.84 NPC1 (0.82) NPC1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL21679409 0.84 NPC1 (0.82) NPC1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL3814590 0.84 NPC1 (0.82) NPC1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL29869422 0.84 NPC1 (0.82) NPC1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL3642302 0.84 NPC1 (0.82) NPC1LMNAKMT2ACYP1A2CYP2C19

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-5268423-A Solid phase phenyl ether resin in presence of a Lewis acid acid catalyst NEW YORK UNIVERSITY (US) 1993-12-07 US disclosed
WO-1993017056-A1 METHOD FOR PREPARATION OF PEPTIDE SYNTHESIS RESINS AND NOVEL PEPTIDE SYNTHESIS RESINS NEW YORK UNIVERSITY (US) 1993-09-02 WO disclosed