SCHEMBL8906296

SCHEMBL8906296

COc1ccc(COC(=O)C2CS[C@@H]3/C(=C\c4cn5c(n4)SCC5)C(=O)N23)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
KCNA5 P22460 1/20 0.31

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
SCHEMBL8887804 0.79
SCHEMBL8906304 0.77 TSHR (0.36) ALDH1A1TSHRMEN1LMNAKMT2A
SCHEMBL8845970 0.74 ALDH1A1 (0.38) ALDH1A1POLB
SCHEMBL8845990 0.74 ALDH1A1 (0.38) ALDH1A1POLB
SCHEMBL8887806 0.74 TSHR (0.36) TSHRMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL8152077 0.72 TSHR (0.34) ALDH1A1TSHRSMN1; SMN2KCNA5
SCHEMBL8886897 0.69 TSHR (0.34) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL27397450 0.69 FABP7 (0.42) ALDH1A1LMNASMN1; SMN2KCNA5
SCHEMBL27340145 0.69 FABP7 (0.42) ALDH1A1LMNASMN1; SMN2KCNA5
Anisole SCHEMBL8846538 0.68 POLB (0.39) ALDH1A1TSHRMEN1LMNAKMT2A

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-5602250-A ANTIBIOTICS, BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-11 US disclosed