SCHEMBL9734800

SCHEMBL9734800

CCOC(=O)C1CN(C2CCCCC2)C(=O)C1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
ALDH1A1 P00352 11/20 0.51
TSHR P16473 2/20 0.46
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR4 O00206 1/20 0.41

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
SCHEMBL1613761 0.75 MAPT (0.65) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL9833333 0.74 ALDH1A1 (0.49) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL14829199 0.74 ALDH1A1 (0.69) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL9831077 0.72 ALDH1A1 (0.47) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL9056076 0.72 MAPT (0.50) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL3534676 0.72 KMT2A (0.45) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL28545713 0.72 MAPT (0.60) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL14452368 0.71 ALDH1A1 (0.46) ALDH1A1TSHRKMT2AMEN1HPGD
SCHEMBL3286134 0.70 POLB (0.43) ALDH1A1TSHRKMT2AMEN1MAPK1
SCHEMBL10668540 0.70 ALDH1A1 (0.42) MAPTALDH1A1TSHRKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132424-A Anticholesterol, treatment of atherosclerosis THE UPJOHN COMPANY (US) 1992-07-21 US disclosed
EP-0425541-A1 PYRAZOLO-AZOLO-PYRIMIDINE-DIONES THE UPJOHN COMPANY (US) 1991-05-08 EP disclosed
WO-1990001031-A1 PYRAZOLO-PYRROLO-PYRIMIDINE-DIONES THE UPJOHN COMPANY (US) 1990-02-08 WO disclosed
US-4739076-A WATER SOLUBLE, FOR PEPTIDES AND PROTEINS SOUTHWICK PHILIP L (US) 1988-04-19 US disclosed