SCHEMBL101815

SCHEMBL101815

Cc1cc(CO[Si](C)(C)C(C)(C)C)ccc1NC(=O)CCCc1ccc(-c2ccccc2)c(N(C(=O)O)C2CCN(C)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.37
ALPI P09923 3/20 0.37
ALPG P10696 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CCR5 P51681 1/20 0.34
CHRM3 P20309 4/20 0.34
TP53 P04637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
OPRM1 P35372 1/20 0.33
ADRB2 P07550 2/20 0.33
RORC P51449 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32

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
SCHEMBL660644 0.88 NPC1 (0.38) ALPLALPIALPGMEN1KMT2A
SCHEMBL99550 0.86 MCHR1 (0.40) ALDH1A1
SCHEMBL175794 0.85 CDK8 (0.42) RORCUBE2MDCUN1D1
SCHEMBL132389 0.85 CHEK1 (0.37) ALPLALPIALPGMEN1KMT2A
SCHEMBL134109 0.85 ALPL (0.36) ALPLALPIALPGMEN1KMT2A
SCHEMBL170208 0.85 CHRM3 (0.48) CHRM3ADRB2
SCHEMBL661774 0.84 MCHR1 (0.41) MEN1KMT2AHCAR2ALDH1A1
SCHEMBL661325 0.83 PDCD1 (0.36) POLBALDH1A1TSHR
SCHEMBL661903 0.82 S1PR1 (0.34) CHRM3TP53POLBTSHRUBE2M
SCHEMBL169769 0.80 CHRM3 (0.49) CHRM3ADRB2

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
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP claimed