SCHEMBL1754909

SCHEMBL1754909

CC(C)C(C)COC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
ADRB2 P07550 2/20 0.59
ADRB1 P08588 2/20 0.59
ADRB3 P13945 2/20 0.59
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 3/20 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
TSHR P16473 3/20 0.51
MAPT P10636 1/20 0.51
SLC1A5 Q15758 1/20 0.49
PRKCA P17252 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
F2 P00734 1/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47

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
SCHEMBL1785955 0.92 ALDH1A1 (0.69) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL10332467 0.90 MAPT (0.56) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL28686071 0.87 ALDH1A1 (0.68) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL14639874 0.86 ALDH1A1 (0.53) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL7899605 0.86 ALDH1A1 (0.61) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL17001644 0.86 ALDH1A1 (0.61) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL14956200 0.85 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL561495 0.85 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1ADRB3LMNA
Benzoic Acid 2-Methylpropyl Ester SCHEMBL20530394 0.85 TSHR (0.69) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL571219 0.85 ALDH1A1 (0.69) ALDH1A1ADRB2ADRB1ADRB3LMNA

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
EP-2441475-A1 Reduced temperature sterilization of stents Abbott Cardiovascular Systems Inc. (US) 2012-04-18 EP disclosed
EP-1533305-A1 A process for the preparation of valsartan and intermediates thereof Dipharma S.p.A. (IT) 2005-05-25 EP disclosed