SCHEMBL16079588

SCHEMBL16079588

C=C(C)C(=O)OCCN1CCNC1=C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
KMT2A Q03164 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
SCHEMBL138215 0.86 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3173610 0.84 KMT2A (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1224431 0.79 MEN1 (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2849107 0.79 KMT2A (0.36) THRBTSHRALDH1A1POLBAPEX1
Cyanate SCHEMBL7188364 0.78 KMT2A (0.36) THRBTSHRALDH1A1KMT2A
SCHEMBL4188784 0.78 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4197886 0.74 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL21923945 0.74 RET (0.30)
Hydrochloric Acid SCHEMBL18448995 0.73 KMT2A (0.36) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18448497 0.73 KMT2A (0.36) THRBTSHRALDH1A1POLBAPEX1

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-20140274835-A1 METHOD OF PROVIDING HIGH COEFFICIENTS OF FRICTION ACROSS OIL-LUBRICATING FRICTION CLUTCHES INFINEUM INTERNATIONAL LIMITED (GB) 2014-09-18 US disclosed
US-20140274835-A1 METHOD OF PROVIDING HIGH COEFFICIENTS OF FRICTION ACROSS OIL-LUBRICATING FRICTION CLUTCHES INFINEUM INTERNATIONAL LIMITED (GB) 2014-09-18 US disclosed