SCHEMBL17612596

SCHEMBL17612596

C=C(C)C(=O)OCCOC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
CDYL Q9Y232 1/20 0.40
ITPR1 Q14643 1/20 0.39
MTNR1A P48039 8/20 0.39
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
MTNR1B P49286 7/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL717112 0.90 MEN1 (0.56) KMT2AMEN1ITPR1MTNR1APOLB
SCHEMBL9217466 0.89 KMT2A (0.55) KMT2AMEN1CDYLITPR1MTNR1A
SCHEMBL28989825 0.89 MEN1 (0.54) KMT2AMEN1ITPR1MTNR1APOLB
SCHEMBL22722202 0.88 KMT2A (0.62) KMT2AMEN1CDYLITPR1MTNR1A
SCHEMBL19000753 0.85 KMT2A (0.62) KMT2AMEN1CDYLITPR1MTNR1A
SCHEMBL2181341 0.82 KMT2A (0.65) KMT2AMEN1CDYLMTNR1APOLB
SCHEMBL154531 0.82 MEN1 (0.58) KMT2AMEN1CDYLMTNR1ATDP1
SCHEMBL27702571 0.82 MEN1 (0.58) KMT2AMEN1CDYLMTNR1ATDP1
SCHEMBL22722212 0.82 KMT2A (0.58) KMT2AMEN1CDYLITPR1MTNR1A
SCHEMBL27549022 0.81 MEN1 (0.44) KMT2AMEN1MTNR1APOLBAPEX1

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-2872591-B1 A PROCESS FOR THE PREPARATION OF TUNABLE FLUORESCENT POLYMER COMPOSITION COUNCIL SCIENT IND RES (IN) 2016-06-29 EP disclosed
US-9290601-B2 Process for the preparation of tunable fluorescent polymer composition COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-03-22 US disclosed