SCHEMBL10925545

SCHEMBL10925545

COC(=O)[C@@H](NCCc1ccccc1)C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
BCHE P06276 2/20 0.45
F2 P00734 3/20 0.45
F10 P00742 3/20 0.45
PRSS1 P07477 3/20 0.45
F7 P08709 3/20 0.45
PRSS2 P07478 2/20 0.45
F3 P13726 2/20 0.45
PRSS3 P35030 2/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7270994 0.86 F2 (0.48) F2F10PRSS1F7PRSS2
SCHEMBL10364366 0.84 ADRA1A (0.47) SLC2A1BCHEF2F10PRSS1
SCHEMBL10363640 0.83 TRPM8 (0.49) F2F10PRSS1F7PRSS2
SCHEMBL9501314 0.83 TRPM8 (0.49) F2F10PRSS1F7PRSS2
SCHEMBL10923379 0.82 ADRB2 (0.45) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL10757599 0.81 ACHE (0.50) F2F10PRSS1F7PRSS2
SCHEMBL9332243 0.81 ACHE (0.50) F2F10PRSS1F7PRSS2
Hydrochloric Acid SCHEMBL10363057 0.80 ACHE (0.49) F2F10PRSS1F7PRSS2
Hydrochloric Acid SCHEMBL10362922 0.80 ACHE (0.49) F2F10PRSS1F7PRSS2
SCHEMBL10362983 0.80 ALDH1A1 (0.48) BCHEMTNR1AMTNR1BSMN1; SMN2NPSR1

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-0185814-A2 Phenylserine derivatives and processes for their preparation SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-07-02 EP disclosed