SCHEMBL7308097

SCHEMBL7308097

CCOC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 11/20 0.55
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
TACR3 P29371 1/20 0.47
TACR2 P21452 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
CLPP Q16740 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 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
SCHEMBL6946429 1.00 CAPN1 (0.55) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6939927 0.89 CAPN1 (0.55) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7322673 0.84 CAPN1 (0.73) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6942271 0.84 GAA (0.60) GAARAB9ACTSLCTSSCTSK
SCHEMBL6942085 0.84 CAPN1 (0.73) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7323993 0.80 CHRNB2 (0.47) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3642696 0.78 CAPN1 (0.60) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3641713 0.78 CAPN1 (0.60) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3642692 0.78 CAPN1 (0.60) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8696650 0.78 CTSL (0.60) CAPN1CTSLCTSBCTSSCTSK

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-6103720-A ENZYME INHIBITORS; ANTIICHEMIC AND -TUMOR AGENTS; STROKES; ALZEIMER'S DISEASE BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US disclosed