SCHEMBL5694890

SCHEMBL5694890

CSc1ccc(C(=O)C(C)(CCc2ccccc2)N2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TSHR P16473 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPK1 P28482 1/20 0.62
FKBP1A P62942 1/20 0.41
HPGD P15428 1/20 0.40
RAB9A P51151 2/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL10886420 0.89 ALDH1A1 (0.65) ALDH1A1TSHRSMN1; SMN2MAPK1FKBP1A
SCHEMBL31068658 0.87 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2MAPK1FKBP1A
SCHEMBL10383859 0.86 ALDH1A1 (0.71) ALDH1A1TSHRSMN1; SMN2MAPK1FKBP1A
SCHEMBL6051821 0.83 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2MAPK1HPGD
SCHEMBL28563314 0.82 ALDH1A1 (0.70) ALDH1A1TSHRSMN1; SMN2MAPK1FKBP1A
SCHEMBL96864 0.82 ALDH1A1 (0.73) ALDH1A1TSHRSMN1; SMN2MAPK1FKBP1A
SCHEMBL25403638 0.82 ALDH1A1 (0.65) ALDH1A1TSHRSMN1; SMN2MAPK1HPGD
SCHEMBL4817677 0.81 ALDH1A1 (0.71) ALDH1A1TSHRSMN1; SMN2MAPK1FKBP1A
SCHEMBL8632822 0.81 ALDH1A1 (0.71) ALDH1A1TSHRSMN1; SMN2MAPK1FKBP1A
SCHEMBL10885734 0.81 ALDH1A1 (0.64) ALDH1A1TSHRSMN1; SMN2MAPK1FKBP1A

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-1664211-A1 PROCESS FOR THE PREPARATION OF SURFACE COATINGS AND FILMS Drug Delivery Solutions Limited (GB) 2006-06-07 EP disclosed
WO-2005030883-A1 PROCESS FOR THE PREPARATION OF SURFACE COATINGS AND FILMS DRUG DELIVERY SOLUTIONS LIMITED (GB) 2005-04-07 WO disclosed