SCHEMBL774727

SCHEMBL774727

C=C(C)C(=O)OCOCc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
CYP19A1 P11511 2/20 0.43
CYP17A1 P05093 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HDAC1 Q13547 1/20 0.40
PTAFR P25105 1/20 0.40
FAAH O00519 1/20 0.40
NAMPT P43490 1/20 0.39
CYP3A4 P08684 2/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL774736 0.88 KMT2A (0.50) CYP19A1CYP17A1NAPRTLMNAKMT2A
SCHEMBL36157 0.82 ALDH1A1 (0.53) LMNAKMT2ATDP1ALDH1A1HTT
SCHEMBL11150544 0.81 CHRNA7 (0.48) CYP19A1NAPRTTDP1ESR1
SCHEMBL29717321 0.81 CHRNA7 (0.48) CYP19A1NAPRTTDP1ESR1
SCHEMBL8635320 0.80 HSD11B1 (0.51) HSD11B1CYP19A1CYP17A1NAPRTLMNA
SCHEMBL8746602 0.79 CHRNA7 (0.59) TDP1
SCHEMBL7551477 0.77 HSD11B1 (0.48) HSD11B1CYP19A1CYP17A1NAPRTLMNA
SCHEMBL13630753 0.77 CYP1A2 (0.52) HSD11B1NAPRTTDP1CHRM2CHRM1
SCHEMBL19002297 0.76 HSD11B1 (0.57) HSD11B1CYP19A1CYP17A1NAPRTLMNA
SCHEMBL29563668 0.76 LMNA (0.51) HSD11B1CYP19A1CYP17A1NAPRTLMNA

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
US-20120067236-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND RELIEF PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed