SCHEMBL8433540

SCHEMBL8433540

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccccc3CC)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR4 O00206 2/20 0.37
HCRTR2 O43614 2/20 0.37
OPRL1 P41146 7/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL10695076 0.95 CYP2C9 (0.45) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL10695081 0.95 CYP2C9 (0.45) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL27960976 0.84 CYP1A2 (0.41) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL11474957 0.84 CYP2C9 (0.41) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL7135459 0.83 HCRTR2 (0.45) LMNAHCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL713556 0.83 CYP2C9 (0.40) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL8437361 0.81 OPRL1 (0.41) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL7215220 0.81 CYP2C9 (0.42) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL8452032 0.81 CYP2C9 (0.42) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL8437363 0.81 OPRL1 (0.41) CYP2C9ALDH1A1MAPTLMNAMEN1

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-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US disclosed