SCHEMBL13448653

SCHEMBL13448653

COc1ccc2c(CN3CCC(CO)CC3)cc3cc4c(cc3c2c1)OCC4

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ HTR1A P08908 3/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ POLB P06746 1/20 0.37
▸ ACHE P22303 3/20 0.36
▸ BCHE P06276 1/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ MOK Q9UQ07 1/20 0.35

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
SCHEMBL3917777 0.88 MCHR1 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL5007613 0.87 MCHR1 (0.43) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5006650 0.80 MCHR1 (0.43) KDM4EALDH1A1ACHEMCHR1
Hydrochloric Acid SCHEMBL4283833 0.79 MCHR1 (0.42) KDM4EALDH1A1ACHEMCHR1
SCHEMBL13448590 0.78 PPARG (0.38) MEN1KMT2APPARGPPARDPPARA
SCHEMBL3927696 0.74 ALDH1A1 (0.50) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL10017899 0.74 RAB9A (0.41) MEN1KMT2AKDM4EMAPTMCHR1
SCHEMBL3917098 0.73 ALDH1A1 (0.45) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5007531 0.73 MAOB (0.47) ACHEMCHR1MAOB
SCHEMBL5004141 0.70 SPHK2 (0.46) KDM4EALDH1A1

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
WO-2010027424-A2 9-SUBSTITUTED PHENANTHRENE BASED TYLOPHORINE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-03-11 — — WO disclosed
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