SCHEMBL8556077

SCHEMBL8556077

CC(C)(C)c1cc(C(=O)C=Cc2ccccc2C(=O)O)cc(C(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
BLM P54132 1/20 0.60
CASP7 P55210 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TNFRSF1A P19438 2/20 0.47
BCHE P06276 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAOB P27338 3/20 0.42
RXRB P28702 3/20 0.41
RXRA P19793 2/20 0.41
RXRG P48443 1/20 0.41
GUSB P08236 1/20 0.41

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
SCHEMBL30942586 1.00 MAPT (0.60) MAPTSMN1; SMN2TDP1TP53CYP3A4
SCHEMBL6311040 0.80 MAPT (0.58) MAPTSMN1; SMN2CYP3A4MAPK1TNFRSF1A
SCHEMBL9319237 0.80 MAPT (0.58) MAPTSMN1; SMN2CYP3A4MAPK1TNFRSF1A
SCHEMBL26877087 0.80 MAPT (0.68) MAPTSMN1; SMN2CYP3A4BCHELMNA
SCHEMBL8554890 0.78 BCHE (0.43) MAPTSMN1; SMN2BCHELMNANPC1
SCHEMBL2307743 0.75 MAPT (1.00) MAPTSMN1; SMN2TDP1TP53CYP3A4
SCHEMBL2307737 0.75 MAPT (1.00) MAPTSMN1; SMN2TDP1TP53CYP3A4
SCHEMBL7616179 0.75 BCHE (0.58) MAPTSMN1; SMN2TDP1ALOX15BCHE
SCHEMBL7583119 0.74 CA1 (0.46) MAPTMAPK1HSD17B10BCHELMNA
SCHEMBL10621808 0.73 GRIK1 (0.51) TDP1RXRBRXRACYSLTR2CYSLTR1

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