SCHEMBL28650516

SCHEMBL28650516

CC(=O)Oc1ccc2c(c1OC(C)=O)-c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
HTT P42858 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
DRD2 P14416 2/20 0.44
DRD1 P21728 2/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
TSHR P16473 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL4645309 0.82 SMN1; SMN2 (0.58) MAPK1HTTADORA3ADORA2AADORA1
SCHEMBL27512237 0.80 KDM4E (0.52) MAPK1HTTADORA3ADORA2AADORA1
SCHEMBL9117106 0.79 PIM1 (0.50) MAPK1HTTADORA3ADORA2AADORA1
SCHEMBL5864493 0.77 ADORA3 (0.46) MAPK1HTTADORA3ADORA2AADORA1
SCHEMBL27325002 0.73 ADORA3 (0.56) MAPK1HTTADORA3ADORA2AADORA1
SCHEMBL8821546 0.73 ELANE (0.52) MAPK1HTTADORA3ADORA2AADORA1
SCHEMBL8676653 0.73 PTGS2 (0.61) MAPK1KDM4EALDH1A1HSD17B10TDP1
SCHEMBL5212814 0.73 MAPK1 (0.71) MAPK1HTTKDM4EALDH1A1HSD17B10
SCHEMBL497339 0.73 MAPT (0.60) MAPK1HTTADORA3ADORA2AADORA1
SCHEMBL29551111 0.73 MAPT (0.60) MAPK1HTTADORA3ADORA2AADORA1

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-113789053-A High-heat-resistance TLCP material and preparation method thereof 宁夏清研高分子新材料有限公司 2021-12-14 CN disclosed
CN-113667281-A Low-dielectric-constant TLCP material and preparation method thereof 宁夏清研高分子新材料有限公司 2021-11-19 CN disclosed