SCHEMBL9507708

SCHEMBL9507708

CCCC(CCC(=O)OCC)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL13890084 0.94 L3MBTL1 (0.56) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL9510255 0.89 CYP1A2 (0.50) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL27906545 0.89 KMT2A (0.50) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL4726173 0.87 HDAC1 (0.52) KMT2APOLBMGAMGAASI
SCHEMBL9506218 0.87 KMT2A (0.49) L3MBTL1KMT2APOLBCYP1A2TDP1
SCHEMBL25405489 0.86 CYP1A2 (0.52) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL580234 0.86 L3MBTL1 (0.53) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL28712162 0.85 KMT2A (0.50) KMT2APOLBCYP1A2TDP1CYP3A4
SCHEMBL712102 0.84 L3MBTL1 (0.51) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL16784563 0.84 HDAC1 (0.42) L3MBTL1KMT2APOLBHDAC1HDAC2

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-0338427-B1 PROCESS FOR THE PREPARATION OF ESTERS OLEFINIC UNSATURATED CARBOXYLIC ACIDS WITH A TERMINAL ESTER GROUP BASF Aktiengesellschaft (DE) 1993-08-18 EP disclosed
EP-0338427-A2 Process for the preparation of esters olefinic unsaturated carboxylic acids with a terminal ester group BASF Aktiengesellschaft (DE) 1989-10-25 EP disclosed