SCHEMBL10855992

SCHEMBL10855992

CCOC(=O)C1OC1C(=O)NC(CC(C)C)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.60
CTSL P07711 2/20 0.49
LMNA P02545 2/20 0.49
CTSB P07858 1/20 0.49
CTSG P08311 1/20 0.49
TSHR P16473 1/20 0.46
MAPK1 P28482 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CACNA1B Q00975 1/20 0.44

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
SCHEMBL10855985 1.00 CAPN1 (0.60) CAPN1CTSLLMNACTSBCTSG
SCHEMBL10856004 1.00 CAPN1 (0.60) CAPN1CTSLLMNACTSBCTSG
SCHEMBL10856809 0.90 CAPN1 (0.51) CAPN1CTSLLMNACTSBCTSG
SCHEMBL10856805 0.90 CAPN1 (0.51) CAPN1CTSLLMNACTSBCTSG
SCHEMBL10856792 0.90 CAPN1 (0.51) CAPN1CTSLLMNACTSBCTSG
SCHEMBL10858984 0.89 CAPN1 (0.56) CAPN1CTSBTSHRMAPK1CYP3A4
SCHEMBL10859034 0.89 CAPN1 (0.56) CAPN1CTSBTSHRMAPK1CYP3A4
SCHEMBL10859075 0.89 CAPN1 (0.56) CAPN1CTSBTSHRMAPK1CYP3A4
SCHEMBL10856911 0.86 ALDH1A1 (0.46) CAPN1TSHRMAPK1CYP3A4CYP2D6
SCHEMBL10856886 0.86 ALDH1A1 (0.46) CAPN1TSHRMAPK1CYP3A4CYP2D6

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
US-4596803-A Treating myocardial infarction NIPPON CHEMIPHAR CO., LTD. (JP) 1986-06-24 US disclosed
US-4507297-A MYOCARDIAL INFARCTION NIPPON CHEMIPHAR CO., LTD. (JP) 1985-03-26 US disclosed