SCHEMBL17108451

SCHEMBL17108451

CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRL1 P41146 14/20 0.34
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL17108419 1.00 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL26044764 0.94 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12716298 0.94 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8934862 0.93 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17108409 0.90 CTSL (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL16426177 0.90 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8961704 0.90 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12739653 0.89 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12734826 0.89 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17108426 0.89 TRPV3 (0.32) OPRL1CTSLCTSSCTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150303397-A1 INORGANIC BARRIER LAYERS MERCK PATENT GMBH (DE) 2015-10-22 US disclosed
US-20150303397-A1 INORGANIC BARRIER LAYERS MERCK PATENT GMBH (DE) 2015-10-22 US disclosed
US-20150270489-A1 EMITTER AND HOSTS WITH AROMATIC UNITS MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150270489-A1 EMITTER AND HOSTS WITH AROMATIC UNITS MERCK PATENT GMBH (DE) 2015-09-24 US disclosed