SCHEMBL6016079

SCHEMBL6016079

Cc1c(C)c2c(c(C)c1NC(=O)CCN1CCOCC1)C(c1ccc(C(C)C)cc1)C(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TERT O14746 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HSP90AB1 P08238 1/20 0.37
TRAP1 Q12931 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 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
Hydrochloric Acid SCHEMBL3599745 0.99 RAB9A (0.40) RAB9ATSHRLMNACYP2C19ALDH1A1
SCHEMBL3610547 0.84 RAB9A (0.32) RAB9ATSHRLMNACYP2C19ALDH1A1
SCHEMBL3603904 0.84 RAB9A (0.32) RAB9ALMNAALDH1A1L3MBTL1NPC1
SCHEMBL3602363 0.83 POLB (0.35) RAB9ALMNACYP2C19ALDH1A1KDM4E
SCHEMBL4092709 0.80 TP53 (0.31) RAB9ALMNAALDH1A1L3MBTL1NPC1
SCHEMBL3609776 0.80 KCNQ2 (0.35) ALDH1A1KDM4EHPGDL3MBTL1MEN1
SCHEMBL2911192 0.78 ALDH1A1 (0.41) RAB9ATSHRALDH1A1MEN1NPC1
SCHEMBL3606335 0.76 KCNQ2 (0.35) ALDH1A1KDM4EHPGDL3MBTL1MEN1
SCHEMBL2913076 0.76 CACNA1H (0.43) RAB9ALMNAALDH1A1KDM4EHPGD
SCHEMBL2911427 0.75 LMNA (0.40) RAB9ALMNACYP2C19ALDH1A1KDM4E

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
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP disclosed