SCHEMBL7652387

SCHEMBL7652387

COC(=O)C=C(C)c1ccccc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ERN1 O75460 2/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NFE2L2 Q16236 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
AR P10275 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL7652378 0.83 TSHR (0.43) TSHRERN1TLR2TLR1TLR6
SCHEMBL7652380 0.83 TSHR (0.43) TSHRERN1TLR2TLR1TLR6
SCHEMBL17755154 0.79 TSHR (0.53) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL15705142 0.78 TSHR (0.51) TSHRKDM4EMEN1KMT2ATDP1
SCHEMBL17755042 0.78 CTSD (0.53) TSHRLMNACA1CA2HSD17B10
SCHEMBL9510853 0.78 TSHR (0.51) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL9510864 0.78 TSHR (0.51) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL9184046 0.77 ERN1 (0.44) TSHRERN1TLR2TLR1TLR6
SCHEMBL121356 0.77 LMNA (0.57) TSHRKDM4ELMNAMEN1THRB
SCHEMBL30635255 0.77 LMNA (0.57) TSHRKDM4ELMNAMEN1THRB

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-6410600-B1 CONTROLLING MICROORGANISMS BAYER AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed