SCHEMBL28999908

SCHEMBL28999908

NC(=O)C(O)=CC=Cc1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.63
CYP1A2 P05177 2/20 0.63
HDAC6 Q9UBN7 2/20 0.56
MAOB P27338 5/20 0.54
CYP19A1 P11511 1/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
GABRA1 P14867 2/20 0.51
GABRB2 P47870 2/20 0.51
CYP3A4 P08684 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TRPV1 Q8NER1 2/20 0.51
LMNA P02545 2/20 0.51
CYP2D6 P10635 2/20 0.51
CTSD P07339 1/20 0.51
ABCB1 P08183 1/20 0.51
ALOX5 P09917 1/20 0.51

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
SCHEMBL28908027 0.88 HSD17B10 (0.67) HSD17B10CYP1A2HDAC6MAOBKDM4E
SCHEMBL22164179 0.88 HSD17B10 (0.67) HSD17B10CYP1A2HDAC6MAOBKDM4E
Hydrochloric Acid SCHEMBL28641311 0.87 HSD17B10 (0.65) HSD17B10CYP1A2HDAC6MAOBKDM4E
SCHEMBL25283960 0.81 KDM4E (0.60) HSD17B10CYP1A2HDAC6MAOBKDM4E
Ammonia Solution, Strong SCHEMBL7541202 0.80 CYP1A2 (0.53) HSD17B10CYP1A2HDAC6KDM4EALDH1A1
SCHEMBL10333352 0.80 HSD17B10 (0.63) HSD17B10CYP1A2HDAC6MAOBKDM4E
SCHEMBL10333351 0.80 HSD17B10 (0.63) HSD17B10CYP1A2HDAC6MAOBKDM4E
SCHEMBL27738406 0.80 CYP1A2 (0.63) HSD17B10CYP1A2HDAC6MAOBKDM4E
SCHEMBL25423911 0.80 HSD17B10 (0.72) HSD17B10CYP1A2HDAC6MAOBKDM4E
SCHEMBL11441141 0.79 HSD17B10 (0.76) HSD17B10CYP1A2HDAC6MAOBKDM4E

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
CN-115887303-A Mosquito-repellent composition and preparation method thereof 湖南雪天精细化工股份有限公司 2023-04-04 CN disclosed