SCHEMBL9251330

SCHEMBL9251330

N#CCC(=O)NCCCO

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.61
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CNR1 P21554 1/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
PTGS1 P23219 1/20 0.35
KCNH2 Q12809 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7620131 0.89 MCL1 (0.68) MCL1HSD17B10LMNAMAPTHTT
SCHEMBL3911970 0.89 MCL1 (0.68) MCL1HSD17B10LMNAMAPTHTT
SCHEMBL9234135 0.86 MCL1 (0.65) MCL1HSD17B10LMNAMAPTHTT
SCHEMBL1898653 0.86
SCHEMBL6217575 0.84 MCL1 (0.74) MCL1HSD17B10LMNAMAPTHTT
SCHEMBL1417663 0.81 MCL1 (0.59) MCL1HSD17B10LMNAMAPTHTT
SCHEMBL319448 0.81 MCL1 (0.77) MCL1NAAAALDH1A1KMT2AMEN1
SCHEMBL11821288 0.81 MCL1 (0.59) MCL1HSD17B10LMNAMAPTHTT
SCHEMBL5335120 0.80 MCL1 (0.58) MCL1LMNAALDH1A1
SCHEMBL8413298 0.80 MCL1 (0.49) MCL1HSD17B10LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1040062-C Pharmacologically active compounds, methods for the preparing thereof and compositions containing same ORION YHTYMAE OY (FI) 1998-10-07 CN disclosed
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US disclosed
US-5283352-A Transferase inhibitor ORION-YHTYMA OY (FI) 1994-02-01 US disclosed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 US disclosed
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 US disclosed
US-3985763-A DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 US disclosed