SCHEMBL9136544

SCHEMBL9136544

Cc1c(C(c2ccc(O)cc2)c2cc(C3CCCCC3)c(O)c(C)c2C)cc(C2CCCCC2)c(O)c1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ NUDT1 P36639 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ MIF P14174 1/20 0.31
▸ DEGS1 O15121 1/20 0.30
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL9137406 0.85 SLC6A4 (0.40) MIF
SCHEMBL36658 0.81 NUDT1 (0.37) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL29499852 0.81 NUDT1 (0.37) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL29372915 0.81 NUDT1 (0.37) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL29372576 0.81 NUDT1 (0.34) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL761688 0.81 NUDT1 (0.34) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL9135740 0.80 GABRA1 (0.34) KDM4EMEN1MAPTKMT2ANUDT1
SCHEMBL9136875 0.80 MIF (0.30) MIF
SCHEMBL29484422 0.79 KDM4E (0.35) KDM4EMEN1MAPTKMT2AESR1
SCHEMBL2512536 0.79 KDM4E (0.35) KDM4EMEN1MAPTKMT2AESR1

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-5401605-A Positive working photosensitive resin composition containing 1,2-naphthoquinone diazide esterification product of triphenylmethane compound TOKYO OHKA KOGYO CO., LTD. (JP) 1995-03-28 — — US disclosed
Send feedback