SCHEMBL28906941

SCHEMBL28906941

CC1(C)COC(=O)c2ccc(cc2)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.32
MEN1 O00255 2/20 0.32
THRB P10828 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 3/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CES2 O00748 1/20 0.31
GMNN O75496 1/20 0.31
TDP2 O95551 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
HSPD1 P10809 1/20 0.31
CYP2C9 P11712 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
SCHEMBL249354 0.80 NPC1 (0.36) MEN1KMT2ALMNARAB9AALDH1A1
SCHEMBL5586278 0.80 IDO1 (0.37) IDO1MEN1THRBKMT2AGAA
SCHEMBL6904764 0.80 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29024469 0.80 MEN1 (0.36) MEN1THRBKMT2AGAA
SCHEMBL29054066 0.78 IDO1 (0.41) IDO1MEN1THRBKMT2ALMNA
SCHEMBL21172015 0.76 IDO1 (0.34) IDO1MEN1THRBKMT2ALMNA
SCHEMBL345495 0.75
SCHEMBL28428607 0.75 CYP19A1 (0.32) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL21172016 0.74 IDO1 (0.33) IDO1MEN1THRBKMT2ALMNA
SCHEMBL11305873 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115305594-A Process for improving polyethylene terephthalate by using poly (2-methyl trimethylene terephthalate) as rheology modifier 北京水木滨华科技有限公司 2022-11-08 CN claimed
CN-115595106-A High-molecular hot melt adhesive and preparation method thereof 北京水木滨华科技有限公司(CN) 2023-01-13 CN disclosed
CN-115305594-A Process for improving polyethylene terephthalate by using poly (2-methyl trimethylene terephthalate) as rheology modifier 北京水木滨华科技有限公司 2022-11-08 CN disclosed
CN-115304890-A Poly (2-methyl trimethylene terephthalate) and polyethylene terephthalate blend composition 北京水木滨华科技有限公司 2022-11-08 CN disclosed