SCHEMBL28670261

SCHEMBL28670261

O=C(OCCOCCOC(=O)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
PTK2B Q14289 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
ALOX15 P16050 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL6754012 1.00 THRB (0.43) THRBSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6751546 1.00 THRB (0.43) THRBSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL8646552 0.94 THRB (0.47) THRBSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL16732192 0.91 MAPT (0.44) THRBSMN1; SMN2TSHRTDP1KDM4E
SCHEMBL16732166 0.91 LMNA (0.46) THRBTSHRKDM4EALDH1A1KMT2A
SCHEMBL1228643 0.89 ALDH1A1 (0.46) THRBSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL16732150 0.88 TSHR (0.51) TSHRTDP1ALDH1A1L3MBTL1
SCHEMBL5623471 0.88 HTT (0.47) SMN1; SMN2TSHRTDP1ALDH1A1KMT2A
SCHEMBL27889070 0.86 KMT2A (0.43) KDM4EALDH1A1KMT2AMAPTATM
SCHEMBL16732064 0.85 TSHR (0.44) TSHRALDH1A1ATML3MBTL1MTNR1A

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-113498384-B UV-Vis radiation free radical curable security ink 锡克拜控股有限公司 2023-05-02 CN disclosed
CN-113498384-A UV-Vis radiation free radical curing security ink 锡克拜控股有限公司 2021-10-12 CN disclosed