SCHEMBL8735904

SCHEMBL8735904

C=C(C)C(=O)OCCOc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
HPGD P15428 3/20 0.53
CYP3A4 P08684 2/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 2/20 0.53
PGR P06401 2/20 0.53
SLC6A2 P23975 2/20 0.53
CYP2C19 P33261 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
AR P10275 1/20 0.53
CHRM1 P11229 1/20 0.53
ALOX15 P16050 1/20 0.53
TBXA2R P21731 1/20 0.53
ADRA1A P35348 1/20 0.53
HIF1A Q16665 1/20 0.53
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.51

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
SCHEMBL18224153 0.95 NPC1 (0.50) NPC1RAB9AHPGDCYP3A4LMNA
SCHEMBL29385429 0.91 SERPINE1 (0.49) NPC1RAB9AHPGDLMNAPOLB
SCHEMBL93564 0.91 SERPINE1 (0.49) NPC1RAB9AHPGDLMNAPOLB
SCHEMBL15224330 0.89 NPC1 (0.46) NPC1RAB9AHPGDCYP3A4LMNA
SCHEMBL93256 0.89 HPGD (0.56) NPC1RAB9AHPGDCYP3A4LMNA
SCHEMBL380884 0.87 HPGD (0.54) NPC1RAB9AHPGDCYP3A4LMNA
SCHEMBL22899522 0.86 POLB (0.54) POLBMAPTL3MBTL1ALDH1A1HTT
SCHEMBL93397 0.85 HPGD (0.59) HPGDCYP3A4LMNACYP1A2PGR
SCHEMBL29384880 0.85 HPGD (0.59) HPGDCYP3A4LMNACYP1A2PGR
SCHEMBL22899541 0.85 POLB (0.47) POLBMAPTL3MBTL1HTTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647143-B1 AZLACTONE-FUNCTIONAL SUBSTRATES, CORNEAL PROSTHESES, AND MANUFACTURE AND USE THEREOF MINNESOTA MINING & MFG (US) 1998-01-28 EP claimed
EP-0647143-A1 AZLACTONE-FUNCTIONAL SUBSTRATES, CORNEAL PROSTHESES, AND MANUFACTURE AND USE THEREOF MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-04-12 EP claimed
US-5292514-A Hydrogel coupled to biologically active material through azalactone moiety MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-03-08 US claimed
WO-1994000165-A2 AZLACTONE-FUNCTIONAL SUBSTRATES, CORNEAL PROSTHESES, AND MANUFACTURE AND USE THEREOF MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-01-06 WO claimed
EP-0647143-B1 AZLACTONE-FUNCTIONAL SUBSTRATES, CORNEAL PROSTHESES, AND MANUFACTURE AND USE THEREOF MINNESOTA MINING & MFG (US) 1998-01-28 EP disclosed
EP-0407932-B1 UV light-absorbing skin-protecting composition SHIONOGI & CO (JP) 1995-05-24 EP disclosed
EP-0647143-A1 AZLACTONE-FUNCTIONAL SUBSTRATES, CORNEAL PROSTHESES, AND MANUFACTURE AND USE THEREOF MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-04-12 EP disclosed
US-5292514-A Hydrogel coupled to biologically active material through azalactone moiety MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-03-08 US disclosed
WO-1994000165-A2 AZLACTONE-FUNCTIONAL SUBSTRATES, CORNEAL PROSTHESES, AND MANUFACTURE AND USE THEREOF MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-01-06 WO disclosed
US-5063048-A Acrylic ester or amide polymers SHIONOGI & CO., LTD. (JP) 1991-11-05 US disclosed