SCHEMBL7093868

SCHEMBL7093868

CCCCCCCCOc1c(C(=O)OC)cccc1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
HDAC6 Q9UBN7 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
MAPT P10636 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL7095147 0.93 CYP1A2 (0.56) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL9698379 0.91 TSHR (0.51) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL17090762 0.91 LMNA (0.57) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL6766000 0.90 LMNA (0.52) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL17885932 0.86 CYP1A2 (0.50) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL32670803 0.83 PTPN11 (0.57) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL6757271 0.83 PTPN11 (0.57) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL12697311 0.83 CYP1A2 (0.51) TSHRLMNAALDH1A1CYP3A4TP53
Hexadecane SCHEMBL28894271 0.83 TSHR (0.68) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL9305910 0.83 LMNA (0.70) TSHRLMNAALDH1A1CYP3A4TP53

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-20030144458-A1 Novel amphiphilic polymeric materials UNIVERSITY OF MASSACHUSETTS, A MASSACHUSETTS CORPORATION 2003-07-31 US disclosed
US-6521736-B2 Can be used in development of physiologically stable, non-leaking, non-immunogenic, efficacious and safe targetable drug delivery systems e.g., for delivery of anti-HIV or anticancer drugs UNIVERSITY OF MASSACHUSETTS 2003-02-18 US disclosed
US-20020099164-A1 Novel amphiphilic polymeric materials UNIVERSITY OF MASSACHUSETTS 2002-07-25 US disclosed