Acrylic Acid

Acrylic Acid

SCHEMBL9957502

C=C(C)C(=O)OCCNCCCC.C=C(CCCO)C(=O)OCCC.C=CC(=O)O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.33
ACHE P22303 7/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
Acrylic Acid SCHEMBL2041101 0.87 TSHR (0.53) TSHRTHRBACHEKDM4EALDH1A1
Acrylic Acid SCHEMBL2048764 0.84 TSHR (0.45) TSHRTHRBACHEHPGD
Acrylic Acid SCHEMBL2389210 0.82 TSHR (0.47) TSHRTHRBHPGDCYP1A2CYP3A4
Acrylic Acid SCHEMBL5282179 0.82 TSHR (0.48) TSHRTHRBACHEKDM4EALDH1A1
Acrylic Acid SCHEMBL9388200 0.81 TSHR (0.50) TSHRTHRBKDM4EHPGDCYP1A2
Acrylic Acid SCHEMBL5291299 0.81 TSHR (0.44) TSHRTHRBACHEKDM4EALDH1A1
SCHEMBL30704752 0.80 TSHR (0.51) TSHRTHRBACHEALDH1A1HPGD
Acrylic Acid SCHEMBL21239504 0.80 ZDHHC20 (0.50) TSHRACHE
Acrylic Acid SCHEMBL578219 0.79 TSHR (0.44) TSHRACHEALDH1A1HPGDCYP1A2
Butadiene SCHEMBL28287926 0.79 TSHR (0.56) TSHRTHRBACHEKDM4EALDH1A1

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-20120201775-A1 HAIR STYLING COSMETIC SHISEIDO COMPANY LTD. (JP) 2012-08-09 US disclosed
EP-2468244-A1 HAIR-DRESSING COSMETIC Shiseido Company, Ltd. (JP) 2012-06-27 EP disclosed