SCHEMBL8022607

SCHEMBL8022607

CC(=O)OCc1cccc(COC(C)=O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYBB P04839 1/20 0.43
IAPP P10997 1/20 0.43
IDO1 P14902 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.39
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL28097007 0.87 ALDH1A1 (0.46) ALDH1A1GABRA1GABRB2CYP3A4KDM4E
SCHEMBL5255523 0.85 ALDH1A1 (0.65) ALDH1A1CYP3A4KDM4EHSD17B10MAPT
SCHEMBL9685109 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4KDM4EHSD17B10MAPT
SCHEMBL2385885 0.82 ALDH1A1 (0.57) ALDH1A1CYBBIAPPIDO1MAPT
SCHEMBL5936403 0.82 ALDH1A1 (0.52) ALDH1A1GABRA1GABRB2CYP3A4KDM4E
SCHEMBL18230927 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4KDM4EHSD17B10CYBB
SCHEMBL9330790 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4KDM4EHSD17B10MAPT
Ammonia Solution, Strong SCHEMBL22266087 0.80 ALDH1A1 (0.55) ALDH1A1CYBBIAPPIDO1MAPT
SCHEMBL17942298 0.80 GABRA1 (0.65) ALDH1A1GABRA1GABRB2CYBBIAPP
SCHEMBL11230276 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4KDM4EHSD17B10CYBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296332-A Crosslinkable aqueous developable photoresist compositions and method for use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-03-22 US claimed
EP-0377308-B1 Phenolic resins BORDEN UK LTD (GB) 1993-11-03 EP claimed
EP-0543761-A1 Crosslinkable aqueous developable photoresist compositions and method for use thereof International Business Machines Corporation (US) 1993-05-26 EP claimed
EP-0543762-B1 Dry developable photoresist compositions and method for use thereof IBM (US) 2000-02-16 EP disclosed
US-5322765-A Dry developable photoresist compositions and method for use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-06-21 US disclosed
US-5296332-A Crosslinkable aqueous developable photoresist compositions and method for use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-03-22 US disclosed
EP-0543761-A1 Crosslinkable aqueous developable photoresist compositions and method for use thereof International Business Machines Corporation (US) 1993-05-26 EP disclosed
EP-0543762-A1 Dry developable photoresist compositions and method for use thereof International Business Machines Corporation (US) 1993-05-26 EP disclosed