SCHEMBL6863293

SCHEMBL6863293

C=C(C)C(=O)OC(=O)c1ccccc1C(=O)OCC(O)CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
ADRB2 P07550 11/20 0.43
ADRB1 P08588 11/20 0.43
ADRB3 P13945 11/20 0.43
CYP3A4 P08684 3/20 0.41
CA2 P00918 1/20 0.41
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MLNR O43193 1/20 0.40
ABCB11 O95342 1/20 0.40
CHRM2 P08172 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
GABRA1 P14867 1/20 0.40
HPGD P15428 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL27546520 0.90 ALDH1A1 (0.47) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL10528766 0.89 ALDH1A1 (0.49) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL2809015 0.87 TSHR (0.44) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL1595727 0.87 ALDH1A1 (0.48) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL2531577 0.84 TSHR (0.56) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL120454 0.84 ALDH1A1 (0.61) ALDH1A1TSHRADRB2ADRB1ADRB3
Ethylene Glycol SCHEMBL4599267 0.81 TSHR (0.44) ALDH1A1TSHRCYP3A4CA2MAPK1
SCHEMBL2992730 0.81 TSHR (0.45) ALDH1A1TSHRCYP3A4MAPK1HSD17B10
SCHEMBL3972957 0.80 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4CA2MAPK1
SCHEMBL633205 0.80 TSHR (0.68) ALDH1A1TSHRCYP3A4MAPK1HSD17B10

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-6806032-B2 NEGATIVE-TYPE PHOTOSENSITIVE RESIN IS A PRODUCT OF MICHAEL ADDITION REACTION BETWEEN AN AMINO GROUP CONTAINING COMPOUND AND AN METH(ACRYLATED)POLYETHYLENE GLYCOL TOKYO OHKA KOGYO CO., LTD. (JP) 2004-10-19 US disclosed
US-20030170569-A1 Negative-type photosensitive resin composition TOKYO OHKA KOGYO CO., LTD. (JP) 2003-09-11 US disclosed