SCHEMBL28922017

SCHEMBL28922017

CC(=CC1C=CC=C1)C(=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.40
MAPT P10636 4/20 0.37
ALDH1A1 P00352 4/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL29117771 0.86 LMNA (0.49) MAPTALDH1A1GAAKMT2ARAB9A
SCHEMBL4324963 0.77 ELANE (0.47) ELANEMAPTALDH1A1GAATDP1
SCHEMBL809326 0.77 ELANE (0.47) ELANEMAPTALDH1A1GAATDP1
SCHEMBL165007 0.77 ELANE (0.47) ELANEMAPTALDH1A1GAATDP1
SCHEMBL9875126 0.75 ELANE (0.46) ELANEMAPTALDH1A1GAATDP1
SCHEMBL17292864 0.75 ELANE (0.46) ELANEMAPTALDH1A1GAATDP1
SCHEMBL1996946 0.75 ALDH1A1 (0.48) ELANEALDH1A1GAAKDM4ERAB9A
SCHEMBL4672996 0.74 ELANE (0.52) ELANEMAPTALDH1A1GAATDP1
SCHEMBL10340521 0.74 ELANE (0.45) ELANEMAPTALDH1A1GAATDP1
SCHEMBL4729742 0.74 HTT (0.47) ELANEMAPTALDH1A1GAATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116981758-A Thermally responsive brush polymers having a copolymer backbone and copolymer arms 英菲诺姆国际有限公司 2023-10-31 CN disclosed
CN-113754806-B Preparation method of expanded polystyrene 江苏越升科技股份有限公司 2022-12-23 CN disclosed