SCHEMBL9809308

SCHEMBL9809308

NCCCCCCNc1ccccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
HSD17B10 Q99714 3/20 0.61
HPGD P15428 3/20 0.61
KDM4C Q9H3R0 4/20 0.56
KDM4E B2RXH2 4/20 0.51
AGTR1 P30556 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM6B O15054 2/20 0.48
PLK1 P53350 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
KAT2B Q92831 2/20 0.45
FABP4 P15090 1/20 0.44
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL10697917 0.98 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDKDM4CKDM4E
Hydrochloric Acid SCHEMBL516167 0.92 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL9809381 0.86 ALDH1A1 (0.69) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL8689214 0.86 ALDH1A1 (0.79) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL5694119 0.84 PLK1 (0.66) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL3475665 0.84 PLK1 (0.66) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL11432358 0.84 PLK1 (0.66) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL5272720 0.84 PLK1 (0.66) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL11443814 0.84 PLK1 (0.66) ALDH1A1HSD17B10HPGDKDM4CKDM4E
SCHEMBL5518973 0.84 ALDH1A1 (0.76) ALDH1A1HSD17B10HPGDKDM4CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283563-B1 NOVEL DERIVATIVES BEECHAM GROUP PLC (GB) 1991-05-29 EP disclosed
EP-0155388-B1 ENZYME-PROTEIN CONJUGATE, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL USE THEREOF BEECHAM GROUP PLC (GB) 1989-03-29 EP disclosed
EP-0283563-A2 Novel derivatives BEECHAM GROUP PLC (GB) 1988-09-28 EP disclosed
US-4741903-A Novel enzyne derivatives BEECHAM GROUP P.L.C. (GB) 1988-05-03 US disclosed
US-4730050-A Novel enzyme derivatives BEECHAM GROUP P.L.C. (GB) 1988-03-08 US disclosed
US-4600580-A Novel enzyme derivatives BEECHAM GROUP P.L.C. (GB) 1986-07-15 US disclosed
EP-0184363-A2 Enzyme conjugates and their therapeutical use BEECHAM GROUP PLC (GB) 1986-06-11 EP disclosed
EP-0155388-A2 Enzyme-protein conjugate, process for its preparation and pharmaceutical use thereof BEECHAM GROUP PLC (GB) 1985-09-25 EP disclosed