SCHEMBL5457095

SCHEMBL5457095

CCCCP(CCCC)CCCC.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PCSK9 Q8NBP7 1/20 0.34
LTA4H P09960 1/20 0.34
SLC9A1 P19634 2/20 0.33
PTGS2 P35354 1/20 0.33
CYP3A4 P08684 1/20 0.33
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL9403467 0.94 TSHR (0.38) TSHRTDP1KDM4EPCSK9LTA4H
SCHEMBL7809112 0.94 TSHR (0.38) TSHRTDP1KDM4EPCSK9LTA4H
SCHEMBL49617 0.89 TDP1 (0.38) TSHRTDP1PCSK9LTA4HPTGS2
SCHEMBL9493867 0.88 TSHR (0.37) TSHRTDP1KDM4ELTA4HSLC9A1
SCHEMBL9414101 0.87 TDP1 (0.37) TSHRTDP1KDM4EPCSK9LTA4H
SCHEMBL10585317 0.87 TDP1 (0.37) TSHRTDP1KDM4EPCSK9LTA4H
Bromide SCHEMBL1577209 0.87 TDP1 (0.37) TSHRTDP1KDM4EPCSK9LTA4H
Hydrochloric Acid SCHEMBL28975804 0.87 TDP1 (0.37) TSHRTDP1KDM4EPCSK9LTA4H
Hydrochloric Acid SCHEMBL28497176 0.87 TDP1 (0.37) TSHRTDP1KDM4EPCSK9LTA4H
SCHEMBL30514704 0.87 TDP1 (0.37) TSHRTDP1KDM4EPCSK9LTA4H

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-8268935-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US claimed
US-20070021555-A1 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. 2007-01-25 US claimed