SCHEMBL8448799

SCHEMBL8448799

O=C(OCC1(COC(=O)c2ccccc2)[CH]C1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.47
F2 P00734 1/20 0.47
RAB9A P51151 3/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL9269862 0.79 TDP1 (0.55) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL28660559 0.78 MAPK1 (0.49) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL27773060 0.76 TDP1 (0.52) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL16290120 0.75 TDP1 (0.50) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL12425826 0.75 TDP1 (0.50) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL1713120 0.75 TDP1 (0.50) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL38654273 0.75 TDP1 (0.50) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL8496636 0.75 TDP1 (0.50) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL13479250 0.74 TDP1 (0.49) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL20288884 0.74 LMNA (0.54) ALDH1A1TDP1KMT2AMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502690-B1 Cyclopropane derivative AJINOMOTO KK (JP) 1999-12-01 EP disclosed
US-5449840-A Viricides AJINOMOTO CO., INC. (JP) 1995-09-12 US disclosed
US-5342840-A Viricides AJINOMOTO CO., INC. (JP) 1994-08-30 US disclosed
EP-0502690-A2 Cyclopropane derivative Ajinomoto Co., Inc. (JP) 1992-09-09 EP disclosed