SCHEMBL11208751

SCHEMBL11208751

O=C(OCc1ccccc1)OC1CC2C=CC1C2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL22604708 0.78 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1KDM4EMAPK1
SCHEMBL8467462 0.77 PSEN1 (0.42) ALDH1A1KMT2ATDP1KDM4E
SCHEMBL2994567 0.77 ALDH1A1 (0.64) ALDH1A1KMT2ATDP1KDM4EMAPK1
SCHEMBL10532151 0.77 ALDH1A1 (0.64) ALDH1A1KMT2ATDP1KDM4EMAPK1
SCHEMBL21729626 0.77 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL4402348 0.77 KDM4E (0.47) ALDH1A1KMT2ATDP1KDM4EL3MBTL1
SCHEMBL14449006 0.77 KDM4E (0.47) ALDH1A1KMT2ATDP1KDM4EL3MBTL1
SCHEMBL5347727 0.76 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4ERAB9ALMNA
SCHEMBL22264005 0.75 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1KDM4EMAPK1
SCHEMBL18559849 0.75 ALDH1A1 (0.52) ALDH1A1KMT2ATDP1KDM4EMAPK1

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
EP-0069908-A1 Method of stabilizing rubber against ozone attack BAYER AG (DE) 1983-01-19 EP disclosed