SCHEMBL21914319

SCHEMBL21914319

O=C(O)C1CCCN1C(=O)CCc1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACE2 Q9BYF1 2/20 0.48
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
F2 P00734 1/20 0.46

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
SCHEMBL5546470 0.92 ACE (0.57) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL3144462 0.83 ACE (0.64) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL5742165 0.83 ACE (0.64) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL14645810 0.81 ALDH1A1 (0.49) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL14645812 0.81 ALDH1A1 (0.49) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL5742979 0.81 CYP2C19 (0.65) ALDH1A1SMN1; SMN2HTR1A
SCHEMBL5742971 0.81 CYP2C19 (0.65) ALDH1A1SMN1; SMN2HTR1A
SCHEMBL7293220 0.80 ACE (0.57) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL6786409 0.80 ACE (0.57) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL14645896 0.80 ACE (0.59) ACECHRM2CHRM4CHRM1CHRM3

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
WO-2020066416-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, LAMINATE, METHOD FOR PRODUCING CURED FILM, AND SEMICONDUCTOR DEVICE 富士フイルム株式会社 2020-04-02 WO disclosed