SCHEMBL13791515

SCHEMBL13791515

O=C(O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.62
▸ PKM P14618 3/20 0.62
▸ TDP1 Q9NUW8 5/20 0.62
▸ F2 P00734 1/20 0.59
▸ PRSS1 P07477 1/20 0.59
▸ PRSS2 P07478 1/20 0.59
▸ PRSS3 P35030 1/20 0.59
▸ TPSAB1 Q15661 1/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ IDE P14735 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ RIN1 Q13671 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ PLCD1 P51178 1/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53

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
SCHEMBL15445095 0.92 F2 (0.63) FOLH1PKMTDP1F2PRSS1
SCHEMBL1300276 0.91 TDP1 (0.68) FOLH1PKMTDP1F2PRSS1
SCHEMBL10215080 0.91 PKM (0.70) FOLH1PKMTDP1F2PRSS1
SCHEMBL15164733 0.91 PKM (0.70) FOLH1PKMTDP1F2PRSS1
SCHEMBL30504309 0.91 FOLH1 (0.70) FOLH1PKMTDP1F2PRSS1
SCHEMBL23334534 0.91 TDP1 (0.68) FOLH1PKMTDP1F2PRSS1
SCHEMBL16187300 0.91 PKM (0.70) FOLH1PKMTDP1F2PRSS1
SCHEMBL16123471 0.91 TDP1 (0.68) FOLH1PKMTDP1F2PRSS1
SCHEMBL22269025 0.91 PKM (0.70) FOLH1PKMTDP1F2PRSS1
SCHEMBL13996630 0.91 F2 (0.61) FOLH1PKMTDP1F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544518-B2 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON (US) 2009-06-09 — — US disclosed
US-7544518-B2 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON (US) 2009-06-09 — — US disclosed
Send feedback