SCHEMBL3203550

SCHEMBL3203550

C=C(C)C(=O)ONCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
EGLN1 Q9GZT9 2/20 0.39
TSHR P16473 3/20 0.38
CTH P32929 1/20 0.35
THRB P10828 1/20 0.35
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TGFBR1 P36897 1/20 0.31
APEX1 P27695 1/20 0.31
ELANE P08246 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
SCHEMBL1398239 0.77
SCHEMBL7168792 0.77
Bromide SCHEMBL3916368 0.76 ALDH1A1 (0.48) ALDH1A1TSHRTHRB
Hydrochloric Acid SCHEMBL4056232 0.76 ALDH1A1 (0.48) ALDH1A1TSHRTHRB
SCHEMBL7153803 0.74 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL9347857 0.74 ALDH1A1 (0.46) ALDH1A1TSHRTHRBTGFBR1
Butane SCHEMBL9642391 0.74 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL5381822 0.74 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL28416397 0.74 ADRA1A (0.50) ALDH1A1TSHR
SCHEMBL28816152 0.72 ALDH1A1 (0.44) ALDH1A1EGLN1TSHRCTHTHRB

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