SCHEMBL17298629

SCHEMBL17298629

C=C1OC(=O)c2cc(C(F)(F)c3ccc4c(c3)C(=O)OC4=O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
TDP2 O95551 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL17943230 0.90 ALDH1A1 (0.38) ALDH1A1ALOX15TDP1NPC1PLA2G1B
SCHEMBL14536450 0.89 ALOX15 (0.46) ALDH1A1ALOX15TDP1NPC1PLA2G1B
SCHEMBL15033891 0.87 ALDH1A1 (0.36) ALDH1A1ALOX15TDP1NPC1PLA2G1B
SCHEMBL18327992 0.84 ALDH1A1 (0.35) ALDH1A1ALOX15TDP1NPC1PLA2G1B
SCHEMBL17298637 0.84 MAOA (0.39) ALDH1A1TDP1L3MBTL1
SCHEMBL14625928 0.84 ALDH1A1 (0.33) ALDH1A1ALOX15TDP1NPC1PLA2G1B
SCHEMBL14537633 0.84 ALDH1A1 (0.36) ALDH1A1ALOX15TDP1NPC1PLA2G1B
SCHEMBL15033925 0.83 ALDH1A1 (0.39) ALDH1A1ALOX15TDP1NPC1PLA2G1B
SCHEMBL14865697 0.81 ALDH1A1 (0.35) ALDH1A1ALOX15TDP1NPC1PLA2G1B
SCHEMBL14865623 0.81 ALDH1A1 (0.37) ALDH1A1ALOX15TDP1NPC1PLA2G1B

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-20150344627-A1 LOW MODULUS NEGATIVE TONE, AQUEOUS DEVELOPABLE PHOTORESIST DESIGNER MOLECULES, INC 2015-12-03 US disclosed