SCHEMBL2796353

SCHEMBL2796353

C=CC(=O)OCCC1CNCCN1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.39
THRB P10828 2/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CXCR4 P61073 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
SCHEMBL238951 0.87 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27931637 0.82 CXCR4 (0.33) CXCR4
SCHEMBL26753792 0.79 ALDH1A1 (0.34) TSHRALDH1A1HSD17B10SMN1; SMN2CXCR4
SCHEMBL27801255 0.79 ALDH1A1 (0.34) TSHRALDH1A1HSD17B10SMN1; SMN2CXCR4
SCHEMBL5479801 0.77 THRB (0.40) TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL7418632 0.75 NAAA (0.36) CXCR4
SCHEMBL27958746 0.75 POLB (0.32) CXCR4
SCHEMBL28202519 0.74 KMT2A (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL30277563 0.73 CXCR4 (0.43) SMN1; SMN2CXCR4
SCHEMBL11691124 0.73 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309669-B2 Use of swellable polymer for sealing EVONIK RÖHM GMBH (DE) 2012-11-13 US disclosed
US-20100163177-A1 USE OF SWELLABLE POLYMER FOR SEALING EVONIK ROEHM GMBH (DE) 2010-07-01 US disclosed
US-20040166080-A1 Thermoplastic coating and binding agent for medicinal forms ROEHM GBMH & CO. KG (DE) 2004-08-26 US disclosed
US-5422121-A Oral dosage unit form ROHM GMBH (DE) 1995-06-06 US disclosed