SCHEMBL11238469

SCHEMBL11238469

CC1OC(CCCl)(c2ccc(C(C)(C)C)cc2)OC1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
SOAT1 P35610 3/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
PON1 P27169 1/20 0.31
LMNA P02545 1/20 0.31
TYR P14679 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SIGMAR1 Q99720 2/20 0.30

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
SCHEMBL11252301 0.87 TSHR (0.33) POLBSOAT1TSHRLMNATYR
SCHEMBL11242387 0.83 SLC6A3 (0.34) SOAT1
SCHEMBL11243234 0.81 SOAT1 (0.33) SOAT1
SCHEMBL11254777 0.81 SIGMAR1 (0.32) NPC1RAB9ASMN1; SMN2SIGMAR1
SCHEMBL11239752 0.80 SOAT1 (0.44) SOAT1
SCHEMBL11233432 0.79 NPC1 (0.40) POLBTSHRPON1LMNATYR
SCHEMBL11236878 0.77 SOAT1 (0.37) SOAT1MEN1CYP2C19KMT2ANPC1
SCHEMBL11237330 0.76 KCNH2 (0.41) TSHRMEN1KMT2APON1NPC1
SCHEMBL11242322 0.75 ICMT (0.35) POLBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL11234440 0.73 MEN1 (0.39) SOAT1TSHRMEN1CYP1A2CYP2C19

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-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed