SCHEMBL28337263

SCHEMBL28337263

CCCCc1ncc[nH]1.O=C(O)c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.47
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
HDAC3 O15379 1/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41

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
Acetic Acid SCHEMBL28627407 0.79 TBXAS1 (0.61) TBXAS1TAAR1MEN1KMT2ATSHR
Benzene SCHEMBL28150538 0.79 TBXAS1 (0.54) TBXAS1TAAR1TSHRHRH4LMNA
Propionic Acid SCHEMBL28634239 0.78 TBXAS1 (0.64) TBXAS1TAAR1MEN1KMT2ATSHR
Acetic Acid SCHEMBL28871346 0.78 TBXAS1 (0.62) TBXAS1TAAR1MEN1KMT2ATSHR
SCHEMBL81566 0.76
Butyric Acid SCHEMBL27339275 0.76 TBXAS1 (0.69) TBXAS1TAAR1HDAC3TSHRHRH4
Valeric Acid SCHEMBL28634371 0.76 TBXAS1 (0.74) TBXAS1MEN1KMT2ATSHRHRH4
Benzoic Acid SCHEMBL27861506 0.75 TBXAS1 (0.57) TBXAS1RAB9AMEN1KMT2ATSHR
Hexanoate SCHEMBL28631635 0.74 TBXAS1 (0.77) TBXAS1MEN1KMT2ATSHRALDH1A1
Propiolic Acid SCHEMBL28458053 0.74 TBXAS1 (0.55) TBXAS1TAAR1MEN1KMT2ATSHR

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
CN-111714691-B Preparation method of antibacterial hydrogel dressing containing imidazolium salt and hyaluronic acid 常州大学 2021-10-22 CN disclosed
CN-111714691-A Preparation method of antibacterial hydrogel dressing containing imidazolium salt and hyaluronic acid 常州大学 2020-09-29 CN disclosed
CN-110591090-A Preparation method of imidazolium antibacterial polymer 常州大学 2019-12-20 CN disclosed