SCHEMBL8972673

SCHEMBL8972673

CC(C)c1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc(C(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
MAPT P10636 2/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
BLM P54132 1/20 0.61
CASP7 P55210 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
XDH P47989 1/20 0.56
KDM4E B2RXH2 1/20 0.53
STAT3 P40763 1/20 0.51
CXCL12 P48061 2/20 0.50
PTPN1 P18031 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.49

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
SCHEMBL8972681 1.00 MAPK1 (0.61) MAPK1MAPTTP53CYP3A4ALOX15
SCHEMBL25198153 0.88 MAPK1 (0.65) MAPK1MAPTTP53CYP3A4ALOX15
SCHEMBL29477178 0.81 MAPT (0.56) MAPK1MAPTTP53CYP3A4ALOX15
SCHEMBL8458428 0.81 MAPT (0.56) MAPK1MAPTTP53CYP3A4ALOX15
SCHEMBL8458429 0.81 MAPT (0.56) MAPK1MAPTTP53CYP3A4ALOX15
SCHEMBL10070208 0.80 KDM4E (0.68) MAPK1MAPTSMN1; SMN2KDM4ECXCL12
SCHEMBL2997293 0.80 XDH (0.74) MAPK1MAPTTP53CYP3A4ALOX15
SCHEMBL25201250 0.80 XDH (0.74) MAPK1MAPTTP53CYP3A4ALOX15
SCHEMBL2997295 0.80 XDH (0.74) MAPK1MAPTTP53CYP3A4ALOX15
SCHEMBL25195971 0.80 XDH (0.74) MAPK1MAPTTP53CYP3A4ALOX15

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
EP-0619116-A2 Use of synthetic retinoids for osteopathy HOECHST JAPAN LIMITED (JP) 1994-10-12 EP claimed
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