SCHEMBL543743

SCHEMBL543743

CCC(C=O)CN(Cc1ccccc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 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
SCHEMBL13109065 0.77 BCHE (0.36) MEN1KMT2ATSHRSIGMAR1ADRA2B
SCHEMBL10746744 0.76 AOC3 (0.47) MEN1KMT2ATSHRALDH1A1SIGMAR1
SCHEMBL3635237 0.75 TSHR (0.54) MEN1KMT2ATSHRALDH1A1HDAC3
SCHEMBL841592 0.75 TSHR (0.42) MEN1KMT2ATSHRALDH1A1SIGMAR1
SCHEMBL841593 0.75 TSHR (0.42) MEN1KMT2ATSHRALDH1A1SIGMAR1
SCHEMBL1371848 0.74 TSHR (0.45) MEN1KMT2ATSHRALDH1A1SIGMAR1
SCHEMBL4662517 0.74 TSHR (0.45) MEN1KMT2ATSHRALDH1A1SIGMAR1
SCHEMBL1371851 0.74 TSHR (0.45) MEN1KMT2ATSHRALDH1A1SIGMAR1
SCHEMBL5267410 0.74 SIGMAR1 (0.40) MEN1KMT2ATSHRALDH1A1SIGMAR1
SCHEMBL12124877 0.74 TSHR (0.50) MEN1KMT2ATSHRALDH1A1SIGMAR1

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
EP-2414418-A1 COMPOSITION CONTAINING A SURFACE-DEACTIVATED POLYISOCYANATE AND CURING IN TWO STAGES Sika Technology AG (CH) 2012-02-08 EP disclosed
WO-2010112537-A1 COMPOSITION CONTAINING A SURFACE-DEACTIVATED POLYISOCYANATE AND CURING IN TWO STAGES SIKA TECHNOLOGY AG (CH) 2010-10-07 WO disclosed