SCHEMBL8980665

SCHEMBL8980665

COC(=O)Cc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
HPGD P15428 2/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RPS6KB2 Q9UBS0 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGS1 P23219 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
CYP4F2 P78329 1/20 0.50

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
SCHEMBL2662328 0.95 MEN1 (0.57) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL31170867 0.95 MEN1 (0.57) ALDH1A1GAAGFERHPGDMAPT
Hydrochloric Acid SCHEMBL5846666 0.93 MEN1 (0.56) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL21620954 0.91 ALDH1A1 (0.61) ALDH1A1GAAGFERHPGDMAPT
Cyclopropane SCHEMBL11849208 0.90 MEN1 (0.53) ALDH1A1GAAGFERHPGDMAPT
2-Naphthylacetic Acid SCHEMBL9315771 0.89 PTGS1 (0.62) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL18823048 0.85 CYP4F2 (0.50) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL26604686 0.85 CYP4F2 (0.58) HPGDMAPTTSHRMEN1KMT2A
SCHEMBL21451484 0.84 CYP11B1 (0.59) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL12419939 0.84 ALDH1A1 (0.54) ALDH1A1GAAGFERHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494944-A BLEND OF MATERIAL POLYMERIZABLE BY FREE RADICAL CATALYSTAND AN IRON COMPOUND CIBA-GEIGY CORPORATION (US) 1996-02-27 US disclosed
US-5371115-A Having sensitizers, electron acceptors selected from peracids, hydroperoxides and quinones; photosensitive, photoresists CIBA-GEIGY CORPORATION (US) 1994-12-06 US disclosed
EP-0152377-B1 CURABLE COMPOSITIONS AND THEIR USE CIBA-GEIGY AG (CH) 1987-12-09 EP disclosed
EP-0152377-A2 Curable compositions and their use CIBA-GEIGY AG (CH) 1985-08-21 EP disclosed