SCHEMBL28630370

SCHEMBL28630370

CCC(c1ccc(OCCOCC2CO2)cc1)c1ccc(OCCOCC2CO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 8/20 0.43
TSHR P16473 4/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.37
GLA P06280 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
CYP17A1 P05093 1/20 0.35

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
SCHEMBL232507 0.86 TDP1 (0.61) SMN1; SMN2TDP1ALDH1A1TSHRTP53
SCHEMBL9325190 0.84 TDP1 (0.55) SMN1; SMN2TDP1ALDH1A1TSHRTP53
SCHEMBL4428715 0.82 TDP1 (0.65) SMN1; SMN2TDP1ALDH1A1TSHRTP53
SCHEMBL24677399 0.82 ALDH1A1 (0.42) SMN1; SMN2TDP1ALDH1A1TSHRTP53
SCHEMBL22005160 0.82 ALDH1A1 (0.42) SMN1; SMN2TDP1ALDH1A1TSHRTP53
SCHEMBL28630372 0.80 ALDH1A1 (0.49) SMN1; SMN2TDP1ALDH1A1TSHRTP53
SCHEMBL11438832 0.80 TDP1 (0.53) SMN1; SMN2TDP1ALDH1A1TSHRTP53
SCHEMBL2829822 0.80 TDP1 (0.50) SMN1; SMN2TDP1ALDH1A1TSHRTP53
SCHEMBL7933696 0.80 TDP1 (0.70) SMN1; SMN2TDP1ALDH1A1TSHRTP53
SCHEMBL2719932 0.80 TDP1 (0.50) SMN1; SMN2TDP1ALDH1A1TSHRTP53

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-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