SCHEMBL6913178

SCHEMBL6913178

N#Cc1ccccc1C(=O)O.[AlH3]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
ALOX15 P16050 1/20 0.54
KDM4E B2RXH2 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HMGB1 P09429 1/20 0.46
HPGD P15428 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA9 Q16790 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CA14 Q9ULX7 1/20 0.46
POLB P06746 3/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
GAA P10253 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
SCHEMBL29365220 0.98 ALDH1A1 (0.56) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL180853 0.98 ALDH1A1 (0.56) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL6917220 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15KDM4ECA12CA1
Hydrochloric Acid SCHEMBL8901291 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL6913393 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL6918558 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL6913805 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL6908405 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL6914996 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL6915000 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15KDM4ECA12CA1

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
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed