SCHEMBL3208445

SCHEMBL3208445

C=C(C)C(=O)ON[C@@H](C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.41
TGFBR1 P36897 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.31
SLC7A5 Q01650 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
SCHEMBL28115869 1.00 ALDH1A1 (0.44) ALDH1A1TSHRTGFBR1SMN1; SMN2THRB
SCHEMBL10625186 0.85 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL9347854 0.78 ALDH1A1 (0.48) ALDH1A1TSHRTHRB
SCHEMBL23829596 0.78 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2
SCHEMBL23829595 0.78 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2
SCHEMBL9347706 0.71 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL18922945 0.71 HDAC6 (0.44) ALDH1A1
SCHEMBL28875860 0.71 ECE1 (0.39) ALDH1A1TSHRTGFBR1SMN1; SMN2THRB
SCHEMBL28875863 0.71 ECE1 (0.39) ALDH1A1TSHRTGFBR1SMN1; SMN2THRB
SCHEMBL1993143 0.71 TSHR (0.41) ALDH1A1TSHRSMN1; SMN2THRB

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-7683106-B2 Primer for dental materials and pulp capping agent for dentin regeneration NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2010-03-23 US disclosed
US-20060252846-A1 Primer for dental materials and pulp capping agent for dentin regeneration MITSUBISHI CHEMICAL CORPORATION (JP) 2006-11-09 US disclosed