SCHEMBL7076716

SCHEMBL7076716

CC(=COc1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
AKR1C3 P42330 1/20 0.40
APEX1 P27695 3/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AKR1B1 P15121 1/20 0.36
FEN1 P39748 1/20 0.36
NOTUM Q6P988 1/20 0.35

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
SCHEMBL7071848 0.80 CYP3A4 (0.37) KMT2AAKR1C3APEX1TSHRLMNA
SCHEMBL2812445 0.77 CA12 (0.47) KMT2AAPEX1LMNAALDH1A1KDM4E
SCHEMBL2812447 0.77 CA12 (0.47) KMT2AAPEX1LMNAALDH1A1KDM4E
SCHEMBL821031 0.73 AKR1C3 (0.50) KMT2AAKR1C3APEX1ALDH1A1
SCHEMBL156818 0.73 AKR1C3 (0.50) KMT2AAKR1C3APEX1ALDH1A1
SCHEMBL2811414 0.73 MEN1 (0.44) KMT2AAKR1C3TSHRCYP1A2CYP2D6
SCHEMBL2811418 0.73 MEN1 (0.44) KMT2AAKR1C3TSHRCYP1A2CYP2D6
SCHEMBL7820420 0.72 AKR1C3 (0.53) KMT2AAKR1C3APEX1TSHRLMNA
SCHEMBL7820417 0.72 AKR1C3 (0.53) KMT2AAKR1C3APEX1TSHRLMNA
SCHEMBL7076579 0.70 KDM4E (0.33) KMT2AAKR1C3APEX1TSHRLMNA

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-20030096172-A1 Hologram recording material composition and hologram recording medium DAISO CO., LTD. (JP) 2003-05-22 US disclosed