SCHEMBL9770977

SCHEMBL9770977

O=C(O)c1ccccc1ONc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
HPGD P15428 6/20 0.47
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 5/20 0.47
ALDH1A1 P00352 9/20 0.46
ESR1 P03372 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46
TSHR P16473 1/20 0.46
GGT1 P19440 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
BLM P54132 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
PDE3A Q14432 1/20 0.45
MAOA P21397 1/20 0.44

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
SCHEMBL30255502 0.90 KDM4E (0.53) GAAHPGDKDM4EHSD17B10ALDH1A1
SCHEMBL6853273 0.90 KDM4E (0.53) GAAHPGDKDM4EHSD17B10ALDH1A1
SCHEMBL944403 0.76 LMNA (0.49) HPGDKDM4EHSD17B10ALDH1A1ESR1
SCHEMBL28027699 0.75 ALDH1A1 (0.47) GAAHPGDKDM4EHSD17B10ALDH1A1
SCHEMBL2355280 0.74 CTNNB1 (0.58) HPGDKDM4EHSD17B10ALDH1A1ESR1
Phthalic Acid SCHEMBL9724323 0.73 ALDH1A1 (0.78) GAAHPGDKDM4EALDH1A1TDP1
SCHEMBL2493557 0.73 KDM4E (0.55) HPGDKDM4EHSD17B10ALDH1A1ESR1
SCHEMBL7111180 0.73 KDM4E (0.55) HPGDKDM4EHSD17B10ALDH1A1ESR1
Aspirin SCHEMBL4660338 0.73 HSD17B10 (0.67) GAAHPGDKDM4EHSD17B10ALDH1A1
SCHEMBL8408145 0.72 CTNNB1 (0.61) HPGDKDM4EHSD17B10ALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010183-A Process for purifying DNA and RNA using cationic detergents QIAGEN N.V. (NL) 1991-04-23 US disclosed