SCHEMBL29368396

SCHEMBL29368396

CCc1ccc2c(c1)=C(OC(=O)OCC(C)C)C(=O)C1=c3ccccc3=C(OC(=O)OCC(C)C)C(=O)C=21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 7/20 0.37
LMNA P02545 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPK1 P28482 2/20 0.37
CA2 P00918 2/20 0.36
KDM4E B2RXH2 5/20 0.36
TDP1 Q9NUW8 4/20 0.36
HTT P42858 3/20 0.36
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRB2 P47870 1/20 0.34
NPSR1 Q6W5P4 5/20 0.34
MEN1 O00255 4/20 0.34
HPGD P15428 4/20 0.34

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
SCHEMBL29370950 0.88 MAPT (0.39) ALDH1A1TSHRMAPTLMNASMN1; SMN2
SCHEMBL29370900 0.88 ALDH1A1 (0.46) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL29371990 0.87 ALDH1A1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL29371905 0.87 MAPT (0.41) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL29368379 0.86 ALDH1A1 (0.38) ALDH1A1TSHRMAPTLMNASMN1; SMN2
SCHEMBL29371941 0.86 ALDH1A1 (0.39) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL29368401 0.86 ALDH1A1 (0.38) ALDH1A1TSHRMAPTLMNASMN1; SMN2
SCHEMBL29372369 0.84 ELANE (0.44) ALDH1A1TSHRMAPTLMNASMN1; SMN2
SCHEMBL29370983 0.83 RAB9A (0.40) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL29371846 0.81 PREP (0.40) ALDH1A1MAPTLMNASMN1; SMN2NPC1

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-109471330-B Photosensitive composition and photopolymerization initiator used therein 东京应化工业株式会社 2023-08-29 CN disclosed
CN-106970503-B Photosensitive composition 东京应化工业株式会社 2022-02-01 CN disclosed