SCHEMBL4097000

SCHEMBL4097000

CCC1CCCc2cc(C)ccc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
HTR6 P50406 5/20 0.40
SRD5A1 P18405 2/20 0.39
KDM2B Q8NHM5 1/20 0.38
KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL23808394 0.85 HTR6 (0.55) ESR1ESR2HTR6
SCHEMBL31650410 0.81 ESR1 (0.44) ESR1ESR2HTR6SRD5A1
SCHEMBL12818003 0.81 ESR1 (0.44) ESR1ESR2HTR6SRD5A1
SCHEMBL24859371 0.81 HTR6 (0.48) ESR1ESR2HTR6
SCHEMBL24593561 0.81 HTR6 (0.48) ESR1ESR2HTR6
SCHEMBL16526986 0.81 ESR1 (0.68) ESR1ESR2HTR6
SCHEMBL13840411 0.81 ESR1 (0.44) ESR1ESR2HTR6SRD5A1
SCHEMBL14567150 0.80 PPARD (0.56)
SCHEMBL21870082 0.80 PPARD (0.56)
SCHEMBL10175568 0.79 SIGMAR1 (0.57) HTR6

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
CN-106462062-B Element, insulating film, method for producing the same, and radiation-sensitive resin composition JSR株式会社 2020-02-14 CN disclosed
US-20090221777-A1 PHOTOSENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-09-03 US disclosed