SCHEMBL18137490

SCHEMBL18137490

C=C(OC(C)(C)C)c1cccc(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UNG P13051 1/20 0.50
▸ SRC P12931 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ TRIM24 O15164 2/20 0.37
▸ TRIM33 Q9UPN9 2/20 0.37
▸ SLC7A5 Q01650 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAOA P21397 3/20 0.34
▸ MAOB P27338 3/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ NAT1 P18440 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL895414 0.82 UNG (0.56) UNGSRCALDH1A1TRIM24TRIM33
SCHEMBL9291451 0.75 UNG (0.60) UNGSRCALDH1A1TRIM24TRIM33
SCHEMBL29952577 0.74 UNG (0.46) UNGALDH1A1TRIM24TRIM33SLC7A5
SCHEMBL20364486 0.73 TDP1 (0.44) ALDH1A1TDP1MAPTSMN1; SMN2TSHR
SCHEMBL13455430 0.73 UNG (0.61) UNGSRCALDH1A1TRIM24TRIM33
SCHEMBL23782567 0.72 UNG (0.44) UNGALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL15156564 0.72 CRBN (0.53) UNGALDH1A1POLB
SCHEMBL19737184 0.72 UNG (0.60) UNGSRCALDH1A1TRIM24TRIM33
SCHEMBL15197913 0.71 UNG (0.59) UNGSRCALDH1A1TRIM24TRIM33
SCHEMBL31487534 0.71 SLC7A5 (0.48) UNGALDH1A1SLC7A5HDAC3HDAC1

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
WO-2016161960-A1 NOVEL 5 OR 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2016-10-13 — — WO disclosed
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