SCHEMBL29038424

SCHEMBL29038424

C#CC(C)(C)Oc1ccc(C(=O)CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.49
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARA Q07869 4/20 0.38
PPARG P37231 2/20 0.38
GSK3B P49841 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL14139184 0.79 ELANE (0.62) ELANEALDH1A1TDP1L3MBTL1MAPT
SCHEMBL5308792 0.77 ELANE (0.57) ELANELMNAMAPK1TDP1PPARA
SCHEMBL5308495 0.77 ELANE (0.55) ELANEALDH1A1PPARAPPARGFABP2
SCHEMBL21408547 0.73 MEN1 (0.48) ELANEALDH1A1LMNAHSD17B10
SCHEMBL6432508 0.71 GSTP1 (0.53) HDAC3HDAC2HDAC8NPC1L3MBTL1
SCHEMBL2008822 0.71 ELANE (0.56) ELANEALDH1A1MAPK1RECQLTDP1
SCHEMBL505810 0.71 HDAC3 (0.68) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL9196159 0.71 ACHE (0.41) ELANEALDH1A1LMNATDP1PPARA
SCHEMBL29644892 0.71 KMT2A (0.54) ALDH1A1LMNARECQLHSD17B10TDP1
SCHEMBL7843630 0.70 ELANE (0.39) ELANEALDH1A1LMNAMAPK1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283936-A Substituted amino ether-containing 2, 2-dimethyl benzopyran derivative and salt or solvate thereof, preparation and application thereof, and composition 沈阳药科大学 2023-06-23 CN disclosed