SCHEMBL11601602

SCHEMBL11601602

COC(=O)C(CBr)OC(=O)Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
ZDHHC7 Q9NXF8 1/20 0.33
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL529923 0.80 ALDH1A1 (0.39) SMN1; SMN2ZDHHC7CA1CA2CA14
SCHEMBL9263125 0.77
SCHEMBL11838076 0.74 ZDHHC7 (0.54) ZDHHC7KMT2ACA1CA2
SCHEMBL6882473 0.72 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ACA1CA2CA14
SCHEMBL9726215 0.71 PPARG (0.48) KMT2A
SCHEMBL4453532 0.70 SMN1; SMN2 (0.41) SMN1; SMN2KMT2ACA1CA2CA14
SCHEMBL32675816 0.69 SMN1; SMN2 (0.42) SMN1; SMN2ZDHHC7KMT2ACA1CA2
SCHEMBL11792165 0.69
SCHEMBL329106 0.69
SCHEMBL11602260 0.67

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-4111933-A PROTECTION OF FUNCTIONAL GROUPS DURING REACTION AND THEIR SUBSEQUENT RESTORATION BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed