SCHEMBL9340896

SCHEMBL9340896

CCCC(CO)C(O)CCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.38
CYP2D6 P10635 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34
UBE2N P61088 1/20 0.34
METAP1 P53582 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL16074709 0.90 LMNA (0.70) LMNATSHRTHRBCYP2D6SPHK1
SCHEMBL8757790 0.90 LMNA (0.76) LMNATSHRCYP2D6SPHK1GMNN
SCHEMBL14763967 0.86 LMNA (0.52) LMNATSHRTHRBCYP2D6SPHK1
SCHEMBL3921436 0.85 LMNA (0.62) LMNATSHRTHRBCYP2D6SPHK1
SCHEMBL18961175 0.84 LMNA (0.61) LMNATSHRCYP2D6SPHK1GMNN
SCHEMBL13757121 0.84 LMNA (0.61) LMNATSHRCYP2D6SPHK1GMNN
SCHEMBL6548253 0.84 LMNA (0.46) LMNATHRBALDH1A1TDP1
SCHEMBL11765327 0.83 LMNA (0.50) LMNATHRBCYP2D6SPHK1GMNN
SCHEMBL341791 0.83 LMNA (0.60) LMNATSHRCYP2D6SPHK1GMNN
SCHEMBL7644910 0.82 LMNA (0.73) LMNATSHRTHRBCYP2D6SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110431217-A Fuel additive for improving octane number, preparation method and application thereof SABIC GLOBAL TECHNOLOGIES BV 2019-11-08 CN disclosed
EP-0603469-A1 Alkylpolyol ethers as cosolvents for ink jet inks E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-06-29 EP disclosed
US-5268027-A Water soluble E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-12-07 US disclosed