SCHEMBL18792831

SCHEMBL18792831

CC(C)(C)C(=O)c1cc(-c2ccccc2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.47
▸ CCNC P24863 3/20 0.43
▸ CDK8 P49336 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ TTK P33981 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ INCENP Q9NQS7 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MCL1 Q07820 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ KMO O15229 1/20 0.38

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
SCHEMBL13674910 0.80 NOTUM (0.51) NOTUMCCNCCDK8ALDH1A1MAPT
SCHEMBL1127328 0.80 NOTUM (0.70) NOTUMCCNCCDK8ALDH1A1MAPT
SCHEMBL30471697 0.77 CCNC (0.69) NOTUMCCNCCDK8ALDH1A1MAPT
SCHEMBL4140356 0.76 ALDH1A1 (0.56) NOTUMCCNCCDK8ALDH1A1MAPT
SCHEMBL14226740 0.73 KMO (0.60) MAPTKMODHODHSMN1; SMN2
SCHEMBL1126817 0.72 GABRP (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL10940124 0.72 NOTUM (0.46) NOTUMCCNCCDK8ALDH1A1MAPT
Biphenyl SCHEMBL2472693 0.70 CYP2C9 (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL8237871 0.70 SMN1; SMN2 (0.59) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL13246765 0.70 SMN1; SMN2 (0.59) ALDH1A1MAPTMEN1KMT2AHPGD

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
US-9815784-B2 CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2017-11-14 — — US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 — — US disclosed
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