SCHEMBL7286000

SCHEMBL7286000

COc1ccc(CCNC(=O)CCCCC(=O)NCCc2ccc(OC)c(OC)c2CCc2ccc(OC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CNR1 P21554 2/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL7274466 0.96 ALDH1A1 (0.59) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7294302 0.92 SLC2A1 (0.64) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7292845 0.92 SLC2A1 (0.65) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7286167 0.91 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7274157 0.90 HPGD (0.58) MEN1KMT2ASMN1; SMN2
SCHEMBL7285826 0.90 SLC2A1 (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7286125 0.88 SLC2A1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2CNR1
SCHEMBL7295458 0.88 CYP1A2 (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7293563 0.88 SLC2A1 (0.65) MEN1KMT2A
SCHEMBL7286147 0.88 SLC2A1 (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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 4 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
US-4883804-A Aromatic compounds FISONS PLC (GB) 1989-11-28 US disclosed