SCHEMBL6435017

SCHEMBL6435017

C=C(C)C(=O)OCN(C)C.C=CN1CCCC1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL211012 0.88 THRB (0.33) KMT2AATMTSHR
SCHEMBL28333248 0.87 THRB (0.41) KMT2AATMALDH1A1TSHR
SCHEMBL6396065 0.85 TSHR (0.37) ALDH1A1TSHR
SCHEMBL8356933 0.85 TSHR (0.37) ALDH1A1TSHR
SCHEMBL19513944 0.85 THRB (0.37) KMT2AATMALDH1A1TSHR
SCHEMBL28770620 0.84 TSHR (0.32) ALDH1A1TSHR
SCHEMBL721712 0.84 KMT2A (0.33) KMT2AATMALDH1A1TSHR
Sulfuric Acid SCHEMBL4396939 0.83 THRB (0.31) TSHR
SCHEMBL8358756 0.83 TSHR (0.35) TSHR
SCHEMBL11132856 0.83 TSHR (0.41) KMT2AATMALDH1A1TSHR

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-6871652-B1 Method for permanently shaping keratin fibers, and agents HANS SCHWARZKOPF GMBH & CO. KG (DE) 2005-03-29 US disclosed
US-5558859-A HAIR, EYELASHES L'OREAL (FR) 1996-09-24 US disclosed