SCHEMBL8301033

SCHEMBL8301033

CCOC(=O)CCCC1Cc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALOX5 P09917 1/20 0.43
CYP2C9 P11712 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TOP2A P11388 1/20 0.42
IDO1 P14902 1/20 0.41
TNF P01375 1/20 0.41
PREP P48147 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
SCHEMBL10531104 0.91 NOTUM (0.48) NAMPTCYP4F2CYP4A11NOTUMALDH1A1
SCHEMBL2246761 0.81 GAA (0.47) CYP4F2CYP4A11NOTUMALDH1A1GAA
SCHEMBL24651033 0.78 NAMPT (0.52) NAMPTCYP4F2CYP4A11NOTUMALDH1A1
SCHEMBL3901891 0.77 ALDH1A1 (0.46) CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5
SCHEMBL24650862 0.77 NAMPT (0.43) NAMPTCYP4F2CYP4A11NOTUMALDH1A1
SCHEMBL8291564 0.77 IDO1 (0.49) IDO1PREP
SCHEMBL7220703 0.77 MAPT (0.46) ALDH1A1SMN1; SMN2TDP1IDO1PREP
SCHEMBL29466624 0.76 TSHR (0.46) NAMPTCYP4F2CYP4A11NOTUMALDH1A1
SCHEMBL8922456 0.75 MTNR1A (0.54) NAMPTCYP4F2CYP4A11NOTUMALDH1A1
SCHEMBL8643065 0.75 SIGMAR1 (0.46) NOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661273-B1 Indane derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-19 EP disclosed
US-5686452-A PROTECTING FROM ENDOTOXIN SHOCK; TREATMENT OF NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-11-11 US disclosed
EP-0661273-A1 Indane derivative and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP disclosed