SCHEMBL8554890

SCHEMBL8554890

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
GUSB P08236 1/20 0.41
TYR P14679 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCB1 P08183 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 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
SCHEMBL6311040 0.80 MAPT (0.58) BCHELMNAMAPTRAB9ANPC1
SCHEMBL9319237 0.80 MAPT (0.58) BCHELMNAMAPTRAB9ANPC1
SCHEMBL30942586 0.78 MAPT (0.60) BCHELMNAMAPTRAB9ANPC1
SCHEMBL8556077 0.78 MAPT (0.60) BCHELMNAMAPTRAB9ANPC1
SCHEMBL8972681 0.75 MAPK1 (0.61) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL8972673 0.75 MAPK1 (0.61) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL7616179 0.75 BCHE (0.58) BCHELMNAMAPTGUSBKDM4E
SCHEMBL7583119 0.74 CA1 (0.46) BCHELMNAMAPTRAB9ANPC1
SCHEMBL10496539 0.73 GRIK1 (0.51) LMNAMAPTTYRKDM4EALDH1A1
SCHEMBL9797948 0.73 GRIK1 (0.51) LMNAMAPTTYRKDM4EALDH1A1

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