SCHEMBL9506401

SCHEMBL9506401

COc1ccc(C(=O)CC(C(N)=O)N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.55
LMNA P02545 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
USP2 O75604 2/20 0.47
PABPC1 P11940 1/20 0.47
ALOX12 P18054 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
POLB P06746 1/20 0.46
FKBP1A P62942 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.45

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
SCHEMBL9506317 0.88 MAPT (0.49) HSD17B10LMNAL3MBTL1TP53MAPT
SCHEMBL9503182 0.83 HSD17B10 (0.79) HSD17B10LMNAMAPTALDH1A1HPGD
SCHEMBL15797451 0.75 LMNA (0.63) LMNAL3MBTL1TP53MAPTALDH1A1
SCHEMBL11662518 0.75 L3MBTL1 (0.54) HSD17B10L3MBTL1ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL12123805 0.72 KMT2A (0.73) LMNAMAPTALDH1A1POLBHTT
SCHEMBL15599303 0.72 HSD17B10 (1.00) HSD17B10LMNAMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL7932179 0.71 KMT2A (0.75) LMNAMAPTALDH1A1POLBHTT
SCHEMBL2319699 0.71 ALDH1A1 (0.56) HSD17B10LMNATP53MAPTALDH1A1
SCHEMBL11660119 0.70 HSD17B10 (0.63) HSD17B10LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL28201246 0.70 L3MBTL1 (0.52) HSD17B10LMNAL3MBTL1ALDH1A1KDM4E

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-0300325-B1 COMPOSITIONS FOR PROMOTING GROWTH OF ANIMALS COMETEC S.r.l. (IT) 1993-06-16 EP disclosed
EP-0300325-A2 Compositions for promoting growth of animals COMETEC S.r.l. (IT) 1989-01-25 EP disclosed
US-4115570-A CENTRAL NERVOUS SYSTEM DEPRESSANTS ISTITUTO CHEMIOTERAPICO ITALIANO, S.P.A. (IT) 1978-09-19 US disclosed