SCHEMBL23199786

SCHEMBL23199786

CN1CCC(CC(=O)Oc2ccc3ccc4ccccc4c3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ HTR1A P08908 4/20 0.43
▸ HTR1D P28221 4/20 0.43
▸ HTR1B P28222 4/20 0.43
▸ CHRNA3 P32297 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 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
SCHEMBL31501222 0.81 L3MBTL1 (0.57) HTR1AHTR1DHTR1BCHRNA3ALDH1A1
SCHEMBL31198254 0.78 CHRM3 (0.48) CHRNA3ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL25212045 0.78 CHRNA3 (0.43) DRD2HTR1ACHRNA3ALDH1A1L3MBTL1
SCHEMBL378787 0.74 ALDH1A1 (0.51) ALDH1A1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL28010902 0.74 TDP1 (0.47) ALDH1A1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL15882797 0.74 PDGFRB (0.55) ALDH1A1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL31634147 0.72 SIRT5 (0.47) ALDH1A1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL23199839 0.72 SMN1; SMN2 (0.52) HTR1AHTR1DHTR1BALDH1A1MEN1
SCHEMBL31482564 0.72 TDP1 (0.44) ALDH1A1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL34462112 0.72 TDP1 (0.44) ALDH1A1MEN1CYP1A2KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3801553-A2 PRODRUGS OF FULVESTRANT Kashiv Biosciences, LLC (US) 2021-04-14 — — EP disclosed
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