SCHEMBL11649769

SCHEMBL11649769

COC(=O)c1ccccc1NCC(CC1CCCCC1)OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.47
▸ ALDH1A1 P00352 9/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ HPGD P15428 3/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ GLA P06280 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL11570124 0.85 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL11652485 0.84 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL11573154 0.80 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDGLA
SCHEMBL11571260 0.80 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDGLA
SCHEMBL11572479 0.80 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDGLA
SCHEMBL11572662 0.77 KDM4E (0.49) KDM4EALDH1A1HSD17B10GLAKMT2A
SCHEMBL11570859 0.76 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL11574037 0.76 ALDH1A1 (0.52) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL11573064 0.73 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL7628551 0.71 KDM4E (0.64) KDM4EALDH1A1HSD17B10HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4099909-A POLYESTERS CIBA-GEIGY AG (CH) 1978-07-11 — — US disclosed
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