SCHEMBL10033418

SCHEMBL10033418

CC(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.51
▸ PLG P00747 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ TPSAB1 Q15661 1/20 0.49
▸ CNR1 P21554 2/20 0.49
▸ FOLH1 Q04609 2/20 0.47
▸ CAPN1 P07384 2/20 0.47
▸ CASP3 P42574 2/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP2 P42575 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ CASP8 Q14790 1/20 0.46
▸ NMT1 P30419 5/20 0.44
▸ NMT2 O60551 4/20 0.44
▸ MAFG O15525 1/20 0.43
▸ CNR2 P34972 1/20 0.42

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
SCHEMBL12303008 0.95 CNR1 (0.54) TDP1PLGPRSS1PRSS2PRSS3
SCHEMBL13311812 0.81 TDP1 (0.56) TDP1PLGPRSS1PRSS2PRSS3
SCHEMBL13311852 0.81 TDP1 (0.55) TDP1PLGPRSS1PRSS2PRSS3
SCHEMBL29869498 0.80 FOLH1 (0.57) TDP1PLGPRSS1PRSS2PRSS3
SCHEMBL13311889 0.80 TDP1 (0.53) TDP1PLGPRSS1PRSS2PRSS3
SCHEMBL10044328 0.80 TDP1 (0.72) TDP1PLGPRSS1PRSS2PRSS3
SCHEMBL13432796 0.80 TDP1 (0.54) TDP1PLGPRSS1PRSS2PRSS3
SCHEMBL14524270 0.80 TDP1 (0.54) TDP1PLGPRSS1PRSS2PRSS3
SCHEMBL13311792 0.80 TDP1 (0.54) TDP1PLGPRSS1PRSS2PRSS3
SCHEMBL14524231 0.80 TDP1 (0.54) TDP1PLGPRSS1PRSS2PRSS3

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-20120021923-A1 METHODS AND SYSTEMS TO DIAGNOSE A CONDITION IN AN INDIVIDUAL NATIONAL SCIENCE FOUNDATION 2012-01-26 — — US disclosed
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