SCHEMBL4447301

SCHEMBL4447301

COc1ccccc1C(C)(C(N)=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MAPT P10636 1/20 0.49
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42

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
SCHEMBL18493202 0.80 KMT2A (0.50) KMT2AMAPTPOLBSMN1; SMN2MEN1
SCHEMBL2781433 0.78 MAPT (0.68) KMT2AMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL28589452 0.78 MAPT (0.53) KMT2AMAPTSMN1; SMN2HTTHDAC3
SCHEMBL16892956 0.78 CA1 (0.50) KMT2AMAPTPOLBSMN1; SMN2MEN1
SCHEMBL3805388 0.77 CA12 (0.45) KMT2AMAPTPOLBSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL29096654 0.77 MAPT (0.65) KMT2AMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL1871077 0.76 KCNN4 (0.55) KMT2AMAPTHDAC3HDAC4HDAC1
SCHEMBL1818709 0.75 KMT2A (0.44) KMT2AMAPTPOLBSMN1; SMN2MEN1
SCHEMBL11023514 0.75 KMT2A (0.47) KMT2AMAPTPOLBSMN1; SMN2MEN1
SCHEMBL21033759 0.75 CA12 (0.46) KMT2APOLBSMN1; SMN2MEN1ALDH1A1

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-2009148961-A2 DRUGS TO PREVENT HPV INFECTION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-12-10 — — WO disclosed
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