SCHEMBL9684731

SCHEMBL9684731

CC(CC1OCCc2ccccc21)NC[C@H](O)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.44
MAPT P10636 2/20 0.40
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP2D6 P10635 2/20 0.39
HIF1A Q16665 2/20 0.39
ADRB1 P08588 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL9684785 1.00 ADRB2 (0.44) ADRB2MAPTALDH1A1KMT2ALMNA
SCHEMBL9684696 0.92 ALDH1A1 (0.44) ADRB2MAPTALDH1A1KMT2ALMNA
SCHEMBL9683704 0.92 ALDH1A1 (0.44) ADRB2MAPTALDH1A1KMT2ALMNA
SCHEMBL9683619 0.92 ALDH1A1 (0.44) ADRB2MAPTALDH1A1KMT2ALMNA
SCHEMBL9683608 0.91 XBP1 (0.47) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL9683778 0.90 KDM4E (0.45) ADRB2MAPTALDH1A1KMT2ALMNA
SCHEMBL9683757 0.90 ADRB2 (0.50) ADRB2TSHRHSD17B10CYP3A4MAPK1
SCHEMBL9683750 0.90 HTR1A (0.43) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL9682923 0.89 ALDH1A1 (0.53) ADRB2MAPTALDH1A1KMT2ALMNA
SCHEMBL9684717 0.89 ADRB2 (0.43) ADRB2MAPTALDH1A1KMT2ALMNA

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-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US claimed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP claimed