SCHEMBL8958704

SCHEMBL8958704

C=C(C)C(=O)ON1CCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 3/20 0.34
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL31411897 0.95 ALDH1A1 (0.42) ALDH1A1TSHRTHRBKMT2AATM
SCHEMBL1411118 0.93 ALDH1A1 (0.41) ALDH1A1TSHRTHRBKMT2AATM
SCHEMBL673250 0.91
SCHEMBL23830049 0.81 ALDH1A1 (0.46) ALDH1A1TSHRTHRBKMT2AATM
SCHEMBL7069922 0.81 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL16144929 0.81 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL1371997 0.81 SMN1; SMN2 (0.42) ALDH1A1TSHRKMT2A
SCHEMBL2309904 0.76 ALDH1A1 (0.31) ALDH1A1KMT2A
SCHEMBL2300507 0.75
SCHEMBL10415664 0.75 ALDH1A1 (0.31) ALDH1A1

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
EP-2861413-B1 AZETIDINIUM-CONTAINING COPOLYMERS AND USES THEREOF NOVARTIS AG (CH) 2019-05-01 EP disclosed
US-5580654-A Insulated electrical conductor W. L. GORE & ASSOCIATES, INC. (US) 1996-12-03 US disclosed