SCHEMBL9026320

SCHEMBL9026320

[CH2]CCCCCc1cccc2cc[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
KEAP1 Q14145 1/20 0.38
PDPK1 O15530 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
BACE1 P56817 1/20 0.36
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL9248977 0.81 AHR (0.43) AHRKEAP1HTR2AHTR2C
SCHEMBL2260654 0.81 MPO (0.46) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL28362482 0.79 AHR (0.44) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL31561732 0.79 AHR (0.44) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL6029507 0.79 AHR (0.44) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL31561738 0.79 AHR (0.44) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL3790923 0.79 AHR (0.44) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL8040464 0.78 AHR (0.50) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL8301717 0.75 AHR (0.41) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL1452618 0.75 AHR (0.47) AHRKEAP1PDPK1HTR2AHTR2C

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-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed