SCHEMBL11477607

SCHEMBL11477607

CCC(CC)C(=O)Nc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADORA1 P30542 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL12822285 0.78 RAB9A (0.57) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL13609093 0.77 HDAC3 (0.56) MEN1KMT2APOLBSMN1; SMN2GAA
SCHEMBL12191262 0.75
SCHEMBL9547521 0.74 SMN1; SMN2 (0.56) TSHRMEN1KMT2APOLBPKM
SCHEMBL1258860 0.74 HPGD (0.50) POLBMAPTSMN1; SMN2HTTCYP1A2
SCHEMBL3483318 0.72
SCHEMBL2014282 0.72 SMN1; SMN2 (0.50) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL5188794 0.72 SMN1; SMN2 (0.50) TSHRMEN1KMT2APOLBMAPT
SCHEMBL4681925 0.72 MEN1 (0.86) TSHRMEN1KMT2APOLBMAPT
SCHEMBL27601040 0.72 SMN1; SMN2 (0.50) MEN1KMT2APOLBPKML3MBTL1

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
US-4187232-A ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1980-02-05 US disclosed