SCHEMBL9696037

SCHEMBL9696037

CC(C)C(=O)Oc1cc(COC(=O)N(C)CC(=O)c2ccccc2)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
ADRB2 P07550 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ELANE P08246 1/20 0.36
PRSS1 P07477 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL9696028 0.89 EGFR (0.42) ELANEPRSS1TPSAB1CHRNB2CHRNB4
SCHEMBL9696962 0.85 RAB9A (0.44) ESR1ESR2TDP1MEN1KMT2A
SCHEMBL9696979 0.85 ADRB2 (0.46) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL10603961 0.85 EGFR (0.46) PRSS1TPSAB1TDP1MEN1KMT2A
SCHEMBL9694883 0.84 ALOX15 (0.41) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL9696046 0.84 ALOX15 (0.43) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL9696544 0.84 ALOX15 (0.43) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL9696527 0.84 ALOX15 (0.43) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL9696260 0.84 ESR1 (0.46) PRSS1TPSAB1ESR1ESR2TDP1
SCHEMBL9695950 0.83 ELANE (0.49) ALOX15ADRB2ADRA2ADRD2ADRA2C

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-5144059-A CATECHOLAMINE ESTERS SIMES SOCIETA ITALIANA MEDICINALI E. SINTETICI S.A. (IT) 1992-09-01 US disclosed