SCHEMBL9847790

SCHEMBL9847790

CCCCCC(C)(C)OC(=O)CCC(=O)CCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
DGKA P23743 1/20 0.35
CES2 O00748 4/20 0.33
CES1 P23141 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PAM P19021 2/20 0.33
FAAH O00519 1/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL20486101 0.87 DGKA (0.42) KMT2ADGKACES2CES1LMNA
SCHEMBL5188239 0.85 CTSK (0.31) HTR2CLMNAALDH1A1
SCHEMBL646201 0.85 PAM (0.38) HTR2CDGKACES2CES1LMNA
SCHEMBL28949803 0.84 DGKA (0.52) MAPTKMT2ADGKACES2CES1
SCHEMBL8041219 0.84 DGKA (0.52) MAPTKMT2ADGKACES2CES1
SCHEMBL28949796 0.84 DGKA (0.52) MAPTKMT2ADGKACES2CES1
SCHEMBL29227001 0.84 DGKA (0.52) MAPTKMT2ADGKACES2CES1
SCHEMBL1712602 0.84 DGKA (0.52) MAPTKMT2ADGKACES2CES1
Ammonia Solution, Strong SCHEMBL9150921 0.82 DGKA (0.50) MAPTKMT2ADGKACES2CES1
SCHEMBL11687288 0.82 DGKA (0.50) MAPTKMT2ADGKACES2CES1

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-0457103-A1 Mixtures of polyamides with aromatic (co)poly(ester)-carbonates based on tertiary alkyl ester groups containing bisphenols BAYER AG (DE) 1991-11-21 EP disclosed
EP-0457102-A2 Bisphenols with a tertiary alkyle ester function, their process of preparation and their use BAYER AG (DE) 1991-11-21 EP disclosed