SCHEMBL9618338

SCHEMBL9618338

CCCC1CCC(c2ccc(OCC3CC3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.54
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ESR2 Q92731 1/20 0.42
ACACB O00763 6/20 0.42
DRD2 P14416 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9618337 1.00 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9775621 0.95 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9548532 0.93 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9614555 0.92 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15316549 0.89 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4800850 0.89 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL1894069 0.89 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8368591 0.87 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8368592 0.87 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5583950 0.87 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTMEN1

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-4095044-A None JP disclosed
JP-H0495044-A SMALL-MEMBERED RING COMPOUND CHISSO CORP 1992-03-27 JP disclosed