SCHEMBL19772947

SCHEMBL19772947

CCOC(C)(C)CCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.61
▸ 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
▸ PKM P14618 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ IDE P14735 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RIN1 Q13671 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ HLCS P50747 2/20 0.52

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
SCHEMBL23571711 1.00 TDP1 (0.61) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL18736958 1.00 TDP1 (0.61) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL17662507 1.00 TDP1 (0.61) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL23843008 0.93 TDP1 (0.54) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL24067568 0.91 TDP1 (0.63) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL18768303 0.91 TDP1 (0.58) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL21524659 0.91 TDP1 (0.58) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL21524702 0.89 TDP1 (0.56) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL27075298 0.88 TDP1 (0.64) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL27075288 0.87 TDP1 (0.64) TDP1F2PRSS1PRSS2PRSS3

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-9867879-B2 Methods for use of small molecule activators of hem-Y / protoporphyrinogen oxidase (PPO) VANDERBILT UNIVERSITY (US) 2018-01-16 — — US disclosed
Send feedback