SCHEMBL5134786

SCHEMBL5134786

C=C(C=CC(=O)O)C(=O)NC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
TSHR P16473 3/20 0.40
HCAR2 Q8TDS4 3/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35

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
SCHEMBL24670989 0.81 TSHR (0.41) ALDH1A1GAATSHRTP53CA12
SCHEMBL18568663 0.76 TSHR (0.38) ALDH1A1GAATSHR
SCHEMBL24670727 0.76 TSHR (0.38) ALDH1A1GAATSHR
SCHEMBL23713438 0.76 TSHR (0.56) ALDH1A1GAATSHRCA12CA1
SCHEMBL1905867 0.74 TDP1 (0.54) ALDH1A1GAAHCAR2MMP1MMP2
SCHEMBL10823780 0.73 GAA (1.00) ALDH1A1GAATSHRHCAR2TP53
SCHEMBL10823781 0.73 GAA (1.00) ALDH1A1GAATSHRHCAR2TP53
SCHEMBL14355649 0.73 GAA (1.00) ALDH1A1GAATSHRHCAR2TP53
SCHEMBL3804217 0.72
Acrylic Acid SCHEMBL2732803 0.71 TSHR (0.50) ALDH1A1GAATSHRTP53CA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162399-A1 MULTIFUNCTIONAL MICROCARRIERS WITH THERMO-RESPONSIVE BIOMATERIAL COATING AND USE THEREOF UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2022-05-26 US disclosed
US-20180355121-A1 MULTIFUNCTIONAL MICROCARRIERS WITH THERMO-RESPONSIVE BIOMATERIAL COATING AND USE THEREOF UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2018-12-13 US disclosed
US-20080058499-A1 Three-dimensional periodic structure, three-dimensional periodic porous structure, and method for producing these KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2008-03-06 US disclosed
US-20060078736-A1 Three-dimensional periodic structure, three-dimensional periodic porous structure, and method for producing these KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2006-04-13 US disclosed