SCHEMBL8556080

SCHEMBL8556080

CC(C)(C)c1cc(C(=O)C=COC(=O)c2ccccc2)cc(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
MAPT P10636 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
BLM P54132 1/20 0.51
CASP7 P55210 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
TNFRSF1A P19438 2/20 0.42
TNF P01375 1/20 0.42
KLF5 Q13887 1/20 0.42
NOD1 Q9Y239 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOB P27338 1/20 0.39

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
SCHEMBL8554892 0.77 NPC1 (0.39) MAPTHSD17B10CYP3A4MAPK1SMN1; SMN2
SCHEMBL27757178 0.73 TSHR (0.50) TDP1MAPTHSD17B10TP53MAPK1
SCHEMBL11131452 0.72 LMNA (0.52) TDP1MAPTHSD17B10TP53MAPK1
SCHEMBL28182671 0.72 LMNA (0.61) TDP1MAPTHSD17B10TP53CYP3A4
SCHEMBL6551409 0.72 TDP1 (0.50) TDP1MAPTHSD17B10TP53MAPK1
SCHEMBL9426280 0.71 ACHE (0.48) TDP1MAPTHSD17B10L3MBTL1RXRA
SCHEMBL27510569 0.71 ALDH1A1 (0.56) TDP1MAPTSMN1; SMN2L3MBTL1RXRA
SCHEMBL8556077 0.70 MAPT (0.60) TDP1MAPTHSD17B10TP53CYP3A4
SCHEMBL30942586 0.70 MAPT (0.60) TDP1MAPTHSD17B10TP53CYP3A4
SCHEMBL14042589 0.70 TSHR (0.57) TDP1MAPTHSD17B10SMN1; SMN2L3MBTL1

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-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