SCHEMBL2576522

SCHEMBL2576522

C=C(CC#N)C(=O)OCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MCL1 Q07820 3/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 2/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2580163 0.79 ALDH1A1 (0.59) TSHRALDH1A1MAPTMEN1KMT2A
Bucrylate SCHEMBL168360 0.77 TSHR (0.62) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL5605430 0.76 TSHR (0.63) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL2530416 0.76 TSHR (0.42) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL5089974 0.76 TSHR (0.63) TSHRALDH1A1
SCHEMBL1473219 0.76 TSHR (0.63) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL24029331 0.75 TSHR (0.61) TSHRALDH1A1
SCHEMBL1521320 0.75 TSHR (0.61) TSHRALDH1A1THRB
SCHEMBL27976578 0.75 TSHR (0.61) TSHRALDH1A1
SCHEMBL11781459 0.74 TSHR (0.36) TSHRALDH1A1MEN1KMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048042-B2 Medical articles incorporating surface capillary fiber MEDTRONIC VASCULAR, INC. (US) 2011-11-01 US disclosed
US-20050021152-A1 Medical articles incorporating surface capillary fiber MEDTRONIC, INC. 2005-01-27 US disclosed
US-20020173770-A1 Adhesive delivery system ST. JUDE MEDICAL, INC. 2002-11-21 US disclosed
EP-1146917-A1 MEDICAL ADHESIVES ST. JUDE MEDICAL, INC. (US) 2001-10-24 EP disclosed
WO-2000043050-A1 MEDICAL ADHESIVES ST. JUDE MEDICAL, INC. (US) 2000-07-27 WO disclosed