SCHEMBL2872137

SCHEMBL2872137

C=CCN(C(=O)C(=C)C)C(C)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL5134095 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL368598 0.78 ALDH1A1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL2362803 0.76 MEN1 (0.33) MEN1KMT2AALDH1A1TSHR
SCHEMBL20274393 0.74 ALDH1A1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL131046 0.73 ALDH1A1 (0.46) ALDH1A1
SCHEMBL6129397 0.72
SCHEMBL3322988 0.71 KMT2A (0.39) MEN1KMT2AALDH1A1TSHR
SCHEMBL327516 0.71 ALDH1A1 (0.35) ALDH1A1
Ammonia Solution, Strong SCHEMBL28035861 0.71 ALDH1A1 (0.45) ALDH1A1
SCHEMBL1176372 0.71 ALDH1A1 (0.35) 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
US-20100129777-A1 KIT FOR FIXING A DENTAL RESTORATION MATERIAL ON A TOOTH SUBSTANCE ERNST MÜHLBAUER GMBH & CO. KG (DE) 2010-05-27 US disclosed
US-5913840-A Soft orthopedic casting article with reinforcement system MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-22 US disclosed