SCHEMBL9802182

SCHEMBL9802182

COc1ccc2c(c1O)CC(c1ccccc1)CC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 4/20 0.50
LMNA P02545 4/20 0.50
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 5/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 2/20 0.45
LDHA P00338 1/20 0.44
GAA P10253 1/20 0.43
PABPC1 P11940 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
EIF4H Q15056 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7313225 0.84 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9520586 0.82 ACHE (0.54) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9802580 0.81 MAP1LC3B (0.47) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL6958079 0.72 KDM4E (0.67) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL9802431 0.70 MAPT (0.39) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL6113040 0.70 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL5713189 0.70 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4ERAB9A
Hydrochloric Acid SCHEMBL9802239 0.69 MAPT (0.38) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL9802388 0.69 CHRNB2 (0.34) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9523559 0.69 MAOB (0.56) ALDH1A1KDM4ELMNAMAPTPOLB

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
US-4994486-A Neurological disorders ABBOTT LABORATORIES (US) 1991-02-19 US disclosed