SCHEMBL9683551

SCHEMBL9683551

CC(CC1OCCc2ccccc21)NCC(O)c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
BLM P54132 2/20 0.47
TSHR P16473 3/20 0.47
RECQL P46063 2/20 0.47
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.40
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

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
SCHEMBL9684696 0.85 ALDH1A1 (0.44) KMT2AALDH1A1MEN1RAB9ASMN1; SMN2
SCHEMBL9683619 0.85 ALDH1A1 (0.44) KMT2AALDH1A1MEN1RAB9ASMN1; SMN2
SCHEMBL9683704 0.85 ALDH1A1 (0.44) KMT2AALDH1A1MEN1RAB9ASMN1; SMN2
SCHEMBL9683608 0.83 XBP1 (0.47) KMT2AALDH1A1MEN1RAB9ASMN1; SMN2
SCHEMBL9684785 0.83 ADRB2 (0.44) KMT2AALDH1A1MEN1RAB9ASMN1; SMN2
SCHEMBL9684761 0.83 MAPT (0.40) KMT2AALDH1A1MEN1RAB9ASMN1; SMN2
SCHEMBL9684731 0.83 ADRB2 (0.44) KMT2AALDH1A1MEN1RAB9ASMN1; SMN2
SCHEMBL9683750 0.82 HTR1A (0.43) KMT2AALDH1A1MEN1RAB9ASMN1; SMN2
SCHEMBL9683778 0.82 KDM4E (0.45) KMT2AALDH1A1MEN1RAB9ASMN1; SMN2
SCHEMBL9683757 0.82 ADRB2 (0.50) TSHRMAPK1CYP2D6HSD17B10

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