SCHEMBL11211399

SCHEMBL11211399

CCCCCCC[C@H]1CC[C@H](C(=O)Oc2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CA2 P00918 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 1/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL11211401 1.00 LSS (0.39) LSSHPGDHTTKMT2AATM
SCHEMBL3277907 0.96 HPGD (0.38) LSSHPGDHTTKMT2AATM
SCHEMBL10801575 0.93 CYP2C9 (0.39) LSSHPGDATMCNR1CNR2
SCHEMBL8377095 0.90 CHRNA3 (0.42) HPGDHTTKMT2AATMMEN1
SCHEMBL8377094 0.90 CHRNA3 (0.42) HPGDHTTKMT2AATMMEN1
SCHEMBL8455675 0.89 TDP1 (0.42) HTTKMT2AATMMEN1CA2
SCHEMBL7508867 0.89 TDP1 (0.42) HTTKMT2AATMMEN1CA2
SCHEMBL20152463 0.89 TDP1 (0.42) HTTKMT2AATMMEN1CA2
SCHEMBL3285878 0.88 HPGD (0.40) HPGDHTTKMT2AATMMEN1
SCHEMBL11034715 0.88 HPGD (0.40) HPGDHTTKMT2AATMMEN1

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
JP-58013544-A None JP disclosed
JP-S5813544-A TRANS-4-SUBSTITUTED CYCLOHEXANECARBOXYLIC ACID 3-CHLORO-4- FLUOROPHENYL ESTER CHISSO CORP 1983-01-26 JP disclosed