Acrylic Acid

Acrylic Acid

SCHEMBL508710

C=CC(=O)O.N#Cc1ccccc1-c1ccccc1.O=C(O)C=CN=Nc1ccccc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
PTPN5 P54829 1/20 0.36
FFAR1 O14842 2/20 0.35
AKR1B1 P15121 1/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
MME P08473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GALR3 O60755 1/20 0.33

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
Azobenzene SCHEMBL508709 0.89 ESR2 (0.47) ESR2MAOAMAOBPTPN5FFAR1
Acrylic Acid SCHEMBL211815 0.83 ESR2 (0.56) ESR2PTPN5FFAR1AKR1B1GABRG2
Benzoic Acid SCHEMBL5166939 0.77 ESR2 (0.49) ESR2PTPN5FFAR1AKR1B1GRIA2
SCHEMBL509329 0.76 TRPA1 (0.45) FFAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL690414 0.70 ESR2 (0.54) ESR2PTPN5FFAR1AKR1B1GRIA2
SCHEMBL31325636 0.70 ESR2 (0.42) ESR2PTPN5FFAR1AKR1B1GRIA2
Ethylene SCHEMBL28042734 0.69 ESR2 (0.64) ESR2MAOAMAOBPTPN5FFAR1
SCHEMBL29662886 0.69 ESR2 (0.69) ESR2MAOAMAOBPTPN5FFAR1
SCHEMBL223 0.69 ESR2 (0.69) ESR2MAOAMAOBPTPN5FFAR1
Water SCHEMBL3178714 0.69 ESR2 (0.69) ESR2MAOAMAOBPTPN5FFAR1

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-8435333-B2 Photo-switchable membrane and method UNIVERSITY OF ROCHESTER (US) 2013-05-07 US disclosed
US-20120025136-A1 PHOTO-SWITCHABLE MEMBRANE AND METHOD UNIVERSITY OF ROCHESTER (US) 2012-02-02 US disclosed