SCHEMBL11033804

SCHEMBL11033804

C=CCOCC(O)CNc1ccccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 1/20 0.43
KDM4E B2RXH2 2/20 0.43
AGTR1 P30556 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
SLC22A1 O15245 1/20 0.39
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL529794 0.81 MAPT (0.44) ALDH1A1ADRB2ADRB1ADRB3CYP1A2
SCHEMBL11147759 0.79 CA1 (0.41) ALDH1A1ADRB2ADRB1ADRB3KDM4E
SCHEMBL27648054 0.79 PLK1 (0.48) ALDH1A1HPGDHSD17B10KDM4EAGTR1
SCHEMBL11328310 0.78 BACE1 (0.52) ALDH1A1HPGDHSD17B10ADRB2ADRB1
SCHEMBL11032147 0.76 MAPT (0.45) ALDH1A1ADRB2ADRB1ADRB3RAB9A
SCHEMBL2189096 0.76 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10KDM4EAGTR1
SCHEMBL11141464 0.76 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10ADRB2ADRB1
SCHEMBL11035087 0.75 FFAR1 (0.55) ALDH1A1HPGDHSD17B10ADRB2ADRB1
SCHEMBL529792 0.75 MAPT (0.54) ALDH1A1HPGDADRB2ADRB1ADRB3
Phthalic Acid SCHEMBL21439841 0.74 CYP3A4 (0.58) ALDH1A1HPGDHSD17B10KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4468493-A High solid coating composition containing novel microparticles of crosslinked copolymer containing amphoionic groups NIPPON PAINT CO., LTD. (JP) 1984-08-28 US disclosed
US-4403065-A CARBOXY OR SULFONATE AMINE AND OTHER MONOMER NIPPON PAINT CO., LTD. (JP) 1983-09-06 US disclosed
US-4309327-A COATINGS, PIGMENT PASTES NIPPON PAINT CO., LTD. (JP) 1982-01-05 US disclosed