SCHEMBL5834541

SCHEMBL5834541

O=C(O)c1cccc(C(=O)O)c1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
G6PD P11413 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
MMP2 P08253 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
EPHX2 P34913 4/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL28223258 0.80 ALDH1A1 (0.45) ALDH1A1ALOX15KDM4EGAAL3MBTL1
SCHEMBL27943561 0.80 MMP2 (0.47) ALDH1A1ALOX15G6PDCASP7CASP6
SCHEMBL28570706 0.80 SELL (0.47) ALDH1A1ALOX15G6PDCASP7CASP6
Hydrochloric Acid SCHEMBL2710119 0.79 CYP2C9 (0.44) ALDH1A1ALOX15KDM4EGAAL3MBTL1
Phthalic Acid SCHEMBL28793332 0.78 ALDH1A1 (0.70) ALDH1A1ALOX15KDM4EGAAL3MBTL1
SCHEMBL27699616 0.77 EPHX2 (0.31) EPHX2
Benzoic Acid SCHEMBL29142624 0.75 TSHR (0.44) ALDH1A1ALOX15KDM4EGAAL3MBTL1
SCHEMBL19249590 0.74 SCN9A (0.40) EPHX2KMT2AUSP2CA12CA1
SCHEMBL27829369 0.74 HSD11B1 (0.43) ALDH1A1ALOX15KDM4EGAAL3MBTL1
Adamantane SCHEMBL28143470 0.73 TSHR (0.49) ALDH1A1ALOX15KDM4EL3MBTL1TSHR

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
US-20060210812-A1 Insulating film and method of forming the same JSR CORPORATION (JP) 2006-09-21 US disclosed
EP-1696478-A1 INSULATING FILM, METHOD FOR FORMING SAME AND COMPOSITION FOR FORMING FILM JSR Corporation (JP) 2006-08-30 EP disclosed