Chalcone

Chalcone

SCHEMBL11898042

COc1ccc(C=O)cc1O.O=C(/C=C/c1ccccc1)c1ccccc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.62
▸ AOX1 Q06278 1/20 0.62
▸ TNFRSF1A P19438 3/20 0.62
▸ CYP1B1 Q16678 2/20 0.62
▸ CYP1A1 P04798 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ TUBB1 Q9H4B7 2/20 0.62
▸ TUBB4A P04350 1/20 0.62
▸ TUBB P07437 1/20 0.62
▸ TUBA3C P0DPH7 1/20 0.62
▸ TUBA1B P68363 1/20 0.62
▸ TUBA4A P68366 1/20 0.62
▸ TUBB4B P68371 1/20 0.62
▸ TUBB3 Q13509 1/20 0.62
▸ TUBB2A Q13885 1/20 0.62
▸ TUBB8 Q3ZCM7 1/20 0.62
▸ TUBA3E Q6PEY2 1/20 0.62
▸ TUBA1A Q71U36 1/20 0.62
▸ TUBA1C Q9BQE3 1/20 0.62
▸ TUBB6 Q9BUF5 1/20 0.62

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
Chalcone SCHEMBL11898044 1.00 ALDH1A1 (0.62) ALDH1A1AOX1TNFRSF1ACYP1B1CYP1A1
SCHEMBL31233430 0.91 TUBB1 (0.73) ALDH1A1CYP1B1CYP1A1CYP1A2TUBB1
SCHEMBL31233067 0.91 TUBB1 (0.73) ALDH1A1CYP1B1CYP1A1CYP1A2TUBB1
SCHEMBL25279622 0.91 TUBB1 (0.73) ALDH1A1CYP1B1CYP1A1CYP1A2TUBB1
SCHEMBL28739804 0.91 TUBB1 (0.73) ALDH1A1CYP1B1CYP1A1CYP1A2TUBB1
SCHEMBL25211728 0.91 TUBB1 (0.73) ALDH1A1CYP1B1CYP1A1CYP1A2TUBB1
SCHEMBL30384079 0.84 TUBB1 (0.79) TNFRSF1ACYP1B1CYP1A1CYP1A2TUBB1
SCHEMBL25196076 0.84 TUBB1 (0.79) TNFRSF1ACYP1B1CYP1A1CYP1A2TUBB1
Isovanillin SCHEMBL28288925 0.84 ALDH1A1 (0.83) ALDH1A1AOX1CYP1A2TUBB1TUBB4A
SCHEMBL25285354 0.84 TUBB4A (0.67) ALDH1A1TNFRSF1ACYP1B1CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023086388-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2023-05-19 — — WO disclosed
EP-2029527-B1 MODIFIED CHALCONE COMPOUNDS AS ANTIMITOTIC AGENTS ARIZONA BIOMEDICAL RES COMMISSION (US) 2012-08-08 — — EP disclosed
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