SCHEMBL7586459

SCHEMBL7586459

CCCC(=O)OCc1ccccc1.N=C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
MAPK1 P28482 3/20 0.54
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MEN1 O00255 2/20 0.44
HPGD P15428 1/20 0.44
NOTUM Q6P988 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL19960 0.92 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPK1LMNATDP1
SCHEMBL1870004 0.92 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPK1LMNATDP1
SCHEMBL7758351 0.90 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1LMNATDP1
Hydrochloric Acid SCHEMBL1009941 0.90 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1LMNATDP1
Hydrochloric Acid SCHEMBL28151480 0.90 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1LMNATDP1
SCHEMBL20351186 0.87 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1LMNATDP1
Propionic Acid SCHEMBL28793877 0.87 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1LMNATDP1
SCHEMBL30610377 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1LMNATDP1
SCHEMBL16015298 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1LMNATDP1
Trifluoroacetic Acid SCHEMBL27569154 0.83 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37658-E1 Chiral optical polymer based information storage material POLYTECHNIC UNIVERSITY 2002-04-16 US disclosed
US-5750049-A REVERSABLE HAYES SOLOWAY, HENNESSEY, GROSSMAN & HAGE (US) 1998-05-12 US disclosed