SCHEMBL29693000

SCHEMBL29693000

O=Cc1ccc(C(=O)O)cc1.[N]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.95
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
KMT2A Q03164 1/20 0.56
TRIM24 O15164 1/20 0.55
TRIM33 Q9UPN9 1/20 0.55
UNG P13051 1/20 0.54
SRD5A2 P31213 1/20 0.52
GLA P06280 1/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50

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
Terephthalic Acid SCHEMBL11068404 0.97 ALDH1A1 (1.00) ALDH1A1TSHRTP53KMT2ATRIM24
SCHEMBL63361 0.97 ALDH1A1 (1.00) ALDH1A1TSHRTP53KMT2ATRIM24
SCHEMBL28234323 0.95 ALDH1A1 (0.95) ALDH1A1TSHRTP53KMT2ATRIM24
SCHEMBL8161786 0.95 ALDH1A1 (0.95) ALDH1A1TSHRTP53KMT2ATRIM24
Ammonia Solution, Strong SCHEMBL10546475 0.95 ALDH1A1 (0.95) ALDH1A1TSHRTP53KMT2ATRIM24
SCHEMBL28508718 0.95 ALDH1A1 (0.95) ALDH1A1TSHRTP53KMT2ATRIM24
Hydrochloric Acid SCHEMBL740726 0.95 ALDH1A1 (0.95) ALDH1A1TSHRTP53KMT2ATRIM24
SCHEMBL8594185 0.95 ALDH1A1 (0.95) ALDH1A1TSHRTP53KMT2ATRIM24
Formaldehyde SCHEMBL9331480 0.93 ALDH1A1 (0.91) ALDH1A1TSHRTP53KMT2ATRIM24
Ethylene SCHEMBL28183342 0.93 ALDH1A1 (0.91) ALDH1A1TSHRTP53KMT2ATRIM24

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
CN-114767922-A Hyaluronic acid hydrogel carrying probiotics as well as preparation method and application thereof 青岛大学 2022-07-22 CN disclosed