SCHEMBL9684761

SCHEMBL9684761

CC(CC1OCCc2ccccc21)NCC(O)c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 2/20 0.38
RECQL P46063 2/20 0.37

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
SCHEMBL9685051 0.87 ALDH1A1 (0.44) MAPTALDH1A1KMT2ALMNARAB9A
SCHEMBL9683704 0.85 ALDH1A1 (0.44) MAPTALDH1A1KMT2ALMNARAB9A
SCHEMBL9683619 0.85 ALDH1A1 (0.44) MAPTALDH1A1KMT2ALMNARAB9A
SCHEMBL9684696 0.85 ALDH1A1 (0.44) MAPTALDH1A1KMT2ALMNARAB9A
SCHEMBL9684731 0.85 ADRB2 (0.44) MAPTALDH1A1KMT2ALMNARAB9A
SCHEMBL9684785 0.85 ADRB2 (0.44) MAPTALDH1A1KMT2ALMNARAB9A
SCHEMBL9683757 0.84 ADRB2 (0.50) TSHRHSD17B10CYP2D6
SCHEMBL9683608 0.83 XBP1 (0.47) MAPTALDH1A1KMT2ALMNARAB9A
SCHEMBL9683551 0.83 KMT2A (0.47) MAPTALDH1A1KMT2ALMNARAB9A
SCHEMBL9684717 0.82 ADRB2 (0.43) MAPTALDH1A1KMT2ALMNARAB9A

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 disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed