SCHEMBL9512833

SCHEMBL9512833

O=C(CCN1CCOCC1)c1ccc(C(=O)CCN2CCOCC2)cc1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.84
KMT2A Q03164 7/20 0.84
MAPT P10636 6/20 0.84
LMNA P02545 2/20 0.82
MPI P34949 1/20 0.82
TP53 P04637 2/20 0.70
ALDH3A1 P30838 1/20 0.70
HTT P42858 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
THRB P10828 3/20 0.68
THRA P10827 2/20 0.68
EGFR P00533 1/20 0.64
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL7255774 0.92 ALDH1A1 (1.00) ALDH1A1KMT2AMAPTLMNAMPI
SCHEMBL12123826 0.92 ALDH1A1 (0.73) ALDH1A1KMT2AMAPTLMNAMPI
SCHEMBL12123789 0.92 ALDH1A1 (0.97) ALDH1A1KMT2AMAPTLMNAMPI
SCHEMBL12123771 0.92 ALDH1A1 (0.73) ALDH1A1KMT2AMAPTLMNAMPI
SCHEMBL12123790 0.92 ALDH1A1 (0.73) ALDH1A1KMT2AMAPTLMNAMPI
SCHEMBL321369 0.91 ALDH1A1 (1.00) ALDH1A1KMT2AMAPTLMNAMPI
Hydrochloric Acid SCHEMBL7932189 0.91 ALDH1A1 (0.74) ALDH1A1KMT2AMAPTLMNAMPI
Hydrochloric Acid SCHEMBL7929073 0.91 ALDH1A1 (0.74) ALDH1A1KMT2AMAPTLMNAMPI
Hydrochloric Acid SCHEMBL7932182 0.91 ALDH1A1 (0.74) ALDH1A1KMT2AMAPTLMNAMPI
Hydrochloric Acid SCHEMBL7934858 0.91 KMT2A (1.00) ALDH1A1KMT2AMAPTLMNAMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260877-B1 Photosensitizers and polymerizable compositions MINNESOTA MINING & MFG (US) 1993-11-03 EP disclosed
US-4792506-A FREE RADICAL POLYMERIZATION OF VINYL MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-12-20 US disclosed
EP-0260877-A2 Photosensitizers and polymerizable compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-03-23 EP disclosed