SCHEMBL8669663

SCHEMBL8669663

CC(C)(CO)COC(=O)c1ccccc1C(=O)O.O=C(O)CCCC(O)(O)C(=O)OC(=O)CCCCC(=O)OCCCCCCOC(=O)c1ccccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
TSHR P16473 5/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3684486 0.81 TSHR (0.40) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL10790805 0.78 TSHR (0.55) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL17938342 0.78 TDP1 (0.37) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL11774105 0.74 ALDH1A1 (0.51) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL9723920 0.74 ALDH1A1 (0.54) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL32680574 0.74 ALDH1A1 (0.61) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL32680573 0.74 ALDH1A1 (0.61) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL29023403 0.73 TSHR (0.66) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5162420 0.72 TSHR (0.60) ALDH1A1TSHRLMNACYP3A4MAPK1
Adipic Acid SCHEMBL10398044 0.72 ALDH1A1 (0.73) ALDH1A1TSHRLMNACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545081-B1 Carboxyl-containing plasticizers in dry-film photopolymerizable compositions MACDERMID IMAGING TECHNOLOGY (US) 1998-12-23 EP disclosed
EP-0452139-B1 Process for the preparation of printing plates from urethane polymers MACDERMID IMAGING TECHNOLOGY (US) 1998-02-25 EP disclosed
US-5415972-A Carboxyl-containing plasticizers in dry-film photopolymerizable compositions HERCULES INCORPORATED (US) 1995-05-16 US disclosed
US-5341799-A Free acidic groups on the backbone; terminal (meth)acrylate groups; photopolymerizable; printing plates HERCULES INCORPORATED (US) 1994-08-30 US disclosed
EP-0545081-A1 Carboxyl-containing plasticizers in dry-film photopolymerizable compositions HERCULES INCORPORATED (US) 1993-06-09 EP disclosed
EP-0452139-A2 Urethane polymers for printing plate compositions HERCULES INCORPORATED (US) 1991-10-16 EP disclosed