SCHEMBL28864992

SCHEMBL28864992

c1ccc(CNc2ccccc2CCOCCc2ccccc2NCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.50
HSD17B10 Q99714 3/20 0.50
ABCG2 Q9UNQ0 3/20 0.50
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
BACE1 P56817 1/20 0.44
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3159306 0.80 HSD17B10 (0.52) ABCB1HSD17B10ABCG2KDM4EHPGD
SCHEMBL8503692 0.77 HSD17B10 (0.49) ABCB1HSD17B10ABCG2KDM4EHPGD
SCHEMBL5790165 0.77 HSD17B10 (0.57) ABCB1HSD17B10ABCG2KDM4EHPGD
SCHEMBL7441992 0.76 HSD17B10 (0.51) ABCB1HSD17B10ABCG2KDM4EHPGD
SCHEMBL7760447 0.76 KDM4E (0.56) ABCB1HSD17B10ABCG2KDM4EHPGD
SCHEMBL19495269 0.76 ABCB1 (0.51) ABCB1HSD17B10ABCG2KDM4EHPGD
SCHEMBL4571036 0.76 HSD17B10 (0.71) HSD17B10KDM4EHPGDTSHRBACE1
SCHEMBL30464743 0.76 HSD17B10 (0.71) HSD17B10KDM4EHPGDTSHRBACE1
SCHEMBL1520714 0.76 HSD17B10 (0.55) HSD17B10KDM4EHPGDTSHRBACE1
Hydrochloric Acid SCHEMBL5598108 0.76 HSD17B10 (0.55) ABCB1HSD17B10ABCG2KDM4EHPGD

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
CN-115068346-A Dental photocurable composition having excellent handling properties and storage stability 株式会社松风 2022-09-20 CN disclosed
CN-115068348-A Curable composition for dental use having excellent storage stability 株式会社松风 2022-09-20 CN disclosed