SCHEMBL7649767

SCHEMBL7649767

CC(C)(C)c1ccc(C(=O)OOC(=O)c2ccc(C(C)(C)C)s2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
MAPK1 P28482 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ATM Q13315 1/20 0.53
YEATS4 O95619 1/20 0.53
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KMT2A Q03164 1/20 0.43
DAO P14920 2/20 0.41
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL668380 0.86 HPGD (0.70) TSHRMAPK1NPSR1HPGDL3MBTL1
SCHEMBL12514085 0.82 HDAC3 (0.59) TSHRMAPK1NPSR1HPGDL3MBTL1
SCHEMBL2693481 0.79 LMNA (0.77) TSHRMAPK1NPSR1HPGDL3MBTL1
SCHEMBL335624 0.79 DAO (0.64) TSHRMAPK1NPSR1HPGDL3MBTL1
SCHEMBL3055322 0.78 YEATS4 (0.54) TSHRMAPK1NPSR1HPGDL3MBTL1
SCHEMBL12321245 0.78 YEATS4 (0.54) TSHRMAPK1NPSR1HPGDL3MBTL1
SCHEMBL10293769 0.78 YEATS4 (0.54) TSHRMAPK1NPSR1HPGDL3MBTL1
SCHEMBL12737782 0.76 YEATS4 (0.53) TSHRMAPK1NPSR1HPGDL3MBTL1
SCHEMBL19059411 0.74 YEATS4 (0.51) TSHRMAPK1NPSR1HPGDL3MBTL1
SCHEMBL10649689 0.74 YEATS4 (0.51) TSHRMAPK1NPSR1HPGDL3MBTL1

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-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US disclosed