SCHEMBL11201231

SCHEMBL11201231

Cc1ccc2c(c1)COO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
GSK3B P49841 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
METAP1 P53582 1/20 0.32
PLK1 P53350 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31

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
SCHEMBL90928 0.83 MMP12 (0.34) MMP12MAPTALDH1A1GAAHSD17B10
SCHEMBL14319844 0.80 METAP1 (0.36) MMP12MAPTALDH1A1GAARAB9A
SCHEMBL15761051 0.77
SCHEMBL28043464 0.76 ALDH1A1 (0.40) MMP12MAPTALDH1A1GAAHSD17B10
SCHEMBL30855405 0.76 ALDH1A1 (0.40) MMP12MAPTALDH1A1GAAHSD17B10
SCHEMBL7938899 0.75 MMP12 (0.40) MMP12MAPTALDH1A1GAAHSD17B10
SCHEMBL15128666 0.75 METAP1 (0.39) MMP12MAPTALDH1A1GAACYP1A2
SCHEMBL11694183 0.74 CA1 (0.40) MAPTALDH1A1GAAGSK3BKDM4E
SCHEMBL2809969 0.74 GSK3B (0.33) GSK3B
SCHEMBL6833886 0.74 AHR (0.43) MAPTNPC1RAB9AHTTSMN1; SMN2

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-0084128-A1 Process for the preparation of alkylbenzenes substituted by radicals containing fluorine BAYER AG (DE) 1983-07-27 EP disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 US disclosed