SCHEMBL28630372

SCHEMBL28630372

Cc1ccc(OCCOCC2CO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TSHR P16473 4/20 0.49
TP53 P04637 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HIF1A Q16665 2/20 0.49
CYP1A2 P05177 1/20 0.49
PPARG P37231 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 2/20 0.47
PKM P14618 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
GLA P06280 1/20 0.44
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL11950258 0.98 ALDH1A1 (0.47) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL10331086 0.92 SMN1; SMN2 (0.56) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL9325190 0.91 TDP1 (0.55) ALDH1A1TSHRTP53MAPTHPGD
P-Xylene SCHEMBL18428567 0.89 TSHR (0.56) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL13616546 0.89 GAA (0.65) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL14588428 0.88 TSHR (0.53) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2719932 0.86 TDP1 (0.50) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL28243292 0.86 TSHR (0.60) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2829822 0.86 TDP1 (0.50) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL21638946 0.84 TDP1 (0.66) ALDH1A1TSHRTP53MAPTHPGD

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
CN-115210219-A Oxime ester photoinitiators 巴斯夫欧洲公司 2022-10-18 CN disclosed
CN-107652222-B Oxime ester photoinitiators 巴斯夫欧洲公司 2021-09-10 CN disclosed
CN-113316744-A Oxime ester photoinitiators with specific aroyl chromophores 巴斯夫欧洲公司 2021-08-27 CN disclosed