SCHEMBL7730690

SCHEMBL7730690

C=C(C)C(=O)OC(=O)c1ccccc1N.OCC(CO)(CO)COCC(CO)(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.43
HSD17B10 Q99714 10/20 0.43
CFTR P13569 1/20 0.43
TSHR P16473 4/20 0.41
KDM4E B2RXH2 10/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 8/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GLA P06280 2/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
Anthranilic Acid SCHEMBL7730700 0.84 HSD17B10 (0.38) ALDH1A1HSD17B10CFTRTSHRKDM4E
Anthranilic Acid SCHEMBL7730694 0.78 HSD17B10 (0.40) ALDH1A1HSD17B10CFTRTSHRKDM4E
SCHEMBL14029379 0.75 ALDH1A1 (0.60) ALDH1A1HSD17B10CFTRTSHRKDM4E
SCHEMBL14029372 0.75 ALDH1A1 (0.60) ALDH1A1HSD17B10CFTRTSHRKDM4E
Ethylene Glycol SCHEMBL4599267 0.75 TSHR (0.44) ALDH1A1HSD17B10TSHRKDM4EGLA
SCHEMBL28769543 0.74 ALDH1A1 (0.63) ALDH1A1HSD17B10CFTRTSHRKDM4E
SCHEMBL2992730 0.74 TSHR (0.45) ALDH1A1HSD17B10CFTRTSHRKDM4E
Anthranilic Acid SCHEMBL8018584 0.74
SCHEMBL11177124 0.73 ALDH1A1 (0.61) ALDH1A1HSD17B10CFTRTSHRKDM4E
SCHEMBL7721993 0.72 ALDH1A1 (0.47) ALDH1A1HSD17B10CFTRTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403289-B1 ALKALINE SOLUTION CONTAINING PHOTOPOLYMERIZABLE POLYAMIC ACID, BENZYLTRIALKYLAMMONIUM (OR PHOSPHONIUM) SALT OR BENZYLTRIARYLAMMONIUM (OR PHOSPHONIUM) SALT AND BASE; SEMICONDUCTORS NIPPON ZEON CO., LTD. (JP) 2002-06-11 US disclosed