SCHEMBL11047634

SCHEMBL11047634

OC(COc1ccccc1)CC1CO1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP2D6 P10635 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
RECQL P46063 1/20 0.49
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 3/20 0.47
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL8510541 0.91 HPGD (0.49) TDP1L3MBTL1KDM4ECYP2D6LMNA
SCHEMBL23589323 0.83 TDP1 (0.60) TDP1L3MBTL1KDM4ECYP2D6LMNA
SCHEMBL18637701 0.81 TDP1 (0.58) TDP1L3MBTL1KDM4ECYP2D6LMNA
SCHEMBL1291152 0.80 KMT2A (0.61) KDM4ELMNAMAPTTSHRHIF1A
SCHEMBL1226540 0.80 RRM1 (0.38) TDP1L3MBTL1KDM4ELMNAMAPT
SCHEMBL267463 0.78 LMNA (0.68) L3MBTL1KDM4ECYP2D6LMNAMAPT
SCHEMBL31243296 0.78 CA1 (0.57) KDM4ECYP2D6MAPTTSHRKMT2A
SCHEMBL8303709 0.78 CA1 (0.57) KDM4ECYP2D6MAPTTSHRKMT2A
SCHEMBL11785803 0.76 LMNA (0.52) TDP1L3MBTL1KDM4ECYP2D6LMNA
Glycerin SCHEMBL28135671 0.75 TDP1 (0.74) TDP1L3MBTL1LMNAMAPTTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4454248-A COMPRESSION OF CLOSED CELLS THE BOEING COMPANY (US) 1984-06-12 US disclosed
US-4141187-A Roofing and surfacing material and method GRAVES ROBERT J 1979-02-27 US disclosed
US-3956241-A CHROMIUM(III) CHELATE COMPOUND AEROJET-GENERAL CORPORATION (US) 1976-05-11 US disclosed