SCHEMBL10694994

SCHEMBL10694994

CC(C)OC(=O)O.CCCCOOCCCC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
TSHR P16473 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.34
AKR1B1 P15121 1/20 0.33
TP53 P04637 1/20 0.33
ACE2 Q9BYF1 1/20 0.33

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
Heptane SCHEMBL4303508 0.85 LMNA (0.63) LMNAALDH1A1TSHRTDP1ALOX15
SCHEMBL28222922 0.80 ALDH1A1 (0.44) ALDH1A1ATMHCAR2TSHRTDP1
Bicarbonate SCHEMBL1538407 0.79 ALDH1A1 (0.52) ALDH1A1ATMHCAR2TSHRTDP1
SCHEMBL1538408 0.78 ALDH1A1 (0.46) ALDH1A1ATMHCAR2TSHRTDP1
SCHEMBL1069759 0.78 LMNA (0.46) LMNAALDH1A1ATMHCAR2TSHR
Acetic Acid SCHEMBL2136672 0.77 ALDH1A1 (0.56) ALDH1A1ATMHCAR2TSHRTDP1
Bicarbonate SCHEMBL28245896 0.77 LMNA (0.44) LMNAALDH1A1HCAR2TSHRAKR1B1
SCHEMBL36671 0.76
SCHEMBL361462 0.76 PAM (0.45) ALDH1A1ATMHCAR2TSHRTDP1
SCHEMBL15986332 0.75 HCAR2 (0.39) LMNAALDH1A1HCAR2TSHRTDP1

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-0267460-A1 Transparent polymers HOECHST AKTIENGESELLSCHAFT (DE) 1988-05-18 EP disclosed