SCHEMBL9051445

SCHEMBL9051445

CC(C)[C@@H](O)CNCCO

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 2/20 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
SCHEMBL4474067 1.00 MEN1 (0.31) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL8432379 0.81 TRPV1 (0.39)
SCHEMBL21905669 0.80 ANPEP (0.42) TSHR
SCHEMBL11496825 0.79 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL9050752 0.79 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL17941722 0.79
SCHEMBL1425004 0.79
SCHEMBL3509339 0.79
Hydrochloric Acid SCHEMBL8391715 0.77
SCHEMBL21283160 0.77 TSHR (0.32) TSHRSMN1; SMN2

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
WO-1996038465-A1 ALKYL 2β-MORPHOLINO-ANDROSTANE DERIVATIVES AKZO NOBEL N.V. (NL) 1996-12-05 WO disclosed