SCHEMBL8554492

SCHEMBL8554492

CC(C)(C)c1cc(C(N)=O)cc(C(C)(C)C)c1-c1ccccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.51
DHODH Q02127 3/20 0.40
BCAT2 O15382 1/20 0.40
SOS1 Q07889 1/20 0.40
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 2/20 0.39
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HNF4A P41235 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
SCHEMBL10413351 0.78 DHODH (0.44) DHODHBCAT2TSHRMAPTL3MBTL1
SCHEMBL502019 0.77 MYC (0.51) MYCDHODHBCAT2SOS1TSHR
SCHEMBL11223178 0.75 MYC (0.53) MYCSOS1TSHRMAPTL3MBTL1
SCHEMBL8729079 0.75 MYC (0.49) MYCBCAT2MAPTL3MBTL1POLB
SCHEMBL8729082 0.73 MYC (0.46) MYCBCAT2MAPTL3MBTL1PARP1
SCHEMBL6395102 0.71 PTPN1 (0.51) MYCTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL8183808 0.71 MKNK1 (0.44) DHODHBCAT2TSHRMAPTL3MBTL1
SCHEMBL11217790 0.71 MYC (0.69) MYCSOS1MAPTL3MBTL1CYP3A4
SCHEMBL7132396 0.70 ALDH1A1 (0.47) MYCTSHRL3MBTL1CYP3A4TDP1
SCHEMBL39249 0.69 ALDH1A1 (0.56) TSHRMAPTPOLBBLMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0619116-A2 Use of synthetic retinoids for osteopathy HOECHST JAPAN LIMITED (JP) 1994-10-12 EP claimed
US-5767146-A Anti-osteopathic composition HOECHST JAPAN LIMITED (JP) 1998-06-16 US disclosed
US-5716995-A TREATING OR PREVENTING BONE DISEASES BY ADMINISTERING PHENOLIC, HETERO- OR NAPHTHYL- DERIVATIVES OF 1-HYDROXY-3-OXO-1-PROPENYL BENZOIC ACID TO PROMOTE OSTEOGENESIS HOECHST JAPAN LIMITED (JP) 1998-02-10 US disclosed
US-5703128-A TREATING OSTEOPOROSIS, BONE FRACTURES HOECHST JAPAN LIMITED (JP) 1997-12-30 US disclosed
US-5525618-A ENHANCING OSTEOGENESIS, PREVENTING OSTEOPOROSIS HOECHST JAPAN LIMITED (JP) 1996-06-11 US disclosed
EP-0619116-A2 Use of synthetic retinoids for osteopathy HOECHST JAPAN LIMITED (JP) 1994-10-12 EP disclosed