SCHEMBL21606341

SCHEMBL21606341

CC(CP(c1ccccc1)c1ccccc1)C(=O)OCCNC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.39
ADRB2 P07550 8/20 0.39
ADRB1 P08588 8/20 0.39
ADRB3 P13945 8/20 0.39
KDM4E B2RXH2 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 2/20 0.34
HTR1A P08908 1/20 0.34
SCN1A P35498 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN3A Q9NY46 1/20 0.34
NMT2 O60551 1/20 0.34
NMT1 P30419 1/20 0.34
TP53BP1 Q12888 1/20 0.33

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
SCHEMBL21605321 0.84 CHRM1 (0.38) ALDH1A1CYP2D6TDP1
SCHEMBL21605322 0.79 HIF1A (0.33) ALDH1A1ADRB2ADRB1ADRB3CYP2D6
SCHEMBL21606317 0.79 TSHR (0.46) ALDH1A1KDM4ECYP2D6
SCHEMBL21606316 0.78 TSHR (0.47) ALDH1A1TDP1
SCHEMBL21606343 0.77 AAK1 (0.40) GAAALDH1A1POLBTDP1
SCHEMBL21605318 0.77 PIN1 (0.46) GAAALDH1A1POLBSLC6A3TDP1
SCHEMBL21606286 0.76 TSHR (0.50) ALDH1A1KDM4EPOLB
Acetic Acid SCHEMBL9549682 0.74 GAA (0.43) GAAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL17680407 0.72 POLB (0.36) GAAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL21606279 0.71 APAF1 (0.44) ALDH1A1KDM4EPOLBCYP2D6

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
WO-2019243580-A1 PHENYLPHOSPHINO COMPOUNDS AS PROCESS STABILIZERS CLARIANT PLASTICS & COATINGS LTD (CH) 2019-12-26 WO disclosed