SCHEMBL7295690

SCHEMBL7295690

COc1ccc(CCNC(=O)CCCCC(=O)NCCc2ccccc2)c(CCc2cccc(C)c2)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.57
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HPGD P15428 4/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MTNR1A P48039 1/20 0.49

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
SCHEMBL7286167 0.94 ALDH1A1 (0.55) SLC2A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL7274157 0.92 HPGD (0.58) SLC2A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL7294870 0.91 SLC2A1 (0.70) SLC2A1HPGDMEN1KMT2ACYP1A2
SCHEMBL7288312 0.90 SLC2A1 (0.72) SLC2A1HDAC1HDAC6MEN1KMT2A
SCHEMBL7433595 0.90 SLC2A1 (0.72) SLC2A1HDAC1HDAC6MEN1KMT2A
SCHEMBL7445759 0.90 SLC2A1 (0.72) SLC2A1HDAC1HDAC6MEN1KMT2A
SCHEMBL7292783 0.90 SLC2A1 (0.58) SLC2A1HPGDMEN1KMT2ACYP1A2
SCHEMBL7442962 0.89 SLC2A1 (0.70) SLC2A1HPGDMEN1KMT2ACYP1A2
SCHEMBL7285648 0.88 SLC2A1 (0.64) SLC2A1HPGDMEN1KMT2AMTNR1A
SCHEMBL7296318 0.88 SLC2A1 (0.64) SLC2A1HDAC1HDAC6HPGDMEN1

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
EP-0223598-B1 CATECHOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FISONS plc (GB) 1991-06-12 EP disclosed
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 US disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 US disclosed