SCHEMBL9751985

SCHEMBL9751985

Cc1ccc2c(c1O)C(=O)OC2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.55
CTSG P08311 1/20 0.50
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PAX8 Q06710 1/20 0.38
MAOA P21397 3/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
BCL2 P10415 1/20 0.36
ALOX12 P18054 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
SCHEMBL28329948 0.83 ALOX15 (0.46) ELANEALDH1A1ALOX15TDP1MAOA
SCHEMBL8693513 0.81 MAOA (0.53) ALDH1A1ALOX15TDP1MAOAKDM4E
SCHEMBL1297841 0.79 TDP2 (0.56) ELANECTSGALDH1A1ALOX15TDP1
SCHEMBL29470951 0.79 TDP2 (0.56) ELANECTSGALDH1A1ALOX15TDP1
SCHEMBL7139576 0.78 DBH (0.45) ALDH1A1ALOX15TDP1NSD2MAOA
SCHEMBL11726870 0.76 ALOX15 (0.39) ELANECTSGALDH1A1ALOX15TDP1
SCHEMBL29112080 0.76 KDM4E (0.39) ELANECTSGTRPA1ALDH1A1ALOX15
SCHEMBL9771012 0.76 ALDH1A1 (0.43) ELANEALDH1A1ALOX15TDP1TDP2
SCHEMBL11398546 0.76 MAPT (0.58) ELANEALDH1A1ALOX15TDP1MAOA
SCHEMBL11385107 0.75 KDM4E (0.47) ELANECTSGTRPA1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3017118-A None JP disclosed
JP-H0317118-A RESIN COMPOSITION FOR FIBER-REINFORCED RESIN NISSAN MOTOR CO LTD 1991-01-25 JP disclosed
JP-H00317118-A 0001-01-01 JP disclosed