SCHEMBL29869498

SCHEMBL29869498

NCCCC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)NCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.57
▸ TDP1 Q9NUW8 4/20 0.56
▸ CASP3 P42574 2/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP2 P42575 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ CASP8 Q14790 1/20 0.51
▸ CAPN1 P07384 2/20 0.50
▸ PLG P00747 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ TPSAB1 Q15661 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ IDE P14735 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL29928558 0.82 TDP1 (0.75) FOLH1TDP1CAPN1MEN1ABL1
SCHEMBL22769248 0.82 FOLH1 (0.65) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL17244682 0.82 FOLH1 (0.65) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL17931798 0.82 FOLH1 (0.46) FOLH1TDP1CASP3CASP1CASP2
Biotin SCHEMBL565572 0.81 TDP1 (0.72) FOLH1TDP1CAPN1PLGPRSS1
Biotin SCHEMBL27757189 0.81 TDP1 (0.72) FOLH1TDP1CAPN1PLGPRSS1
SCHEMBL12303008 0.81 CNR1 (0.54) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL10044328 0.81 TDP1 (0.72) FOLH1TDP1CAPN1PLGPRSS1
SCHEMBL10033418 0.80 TDP1 (0.51) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL16458328 0.80 FOLH1 (0.62) FOLH1TDP1CASP3CASP1CASP2

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-11789029-B2 Temporal traumatic brain injury biomarkers and methods of use thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-10-17 — — US disclosed
US-20220268788-A1 TEMPORAL TRAUMATIC BRAIN INJURY BIOMARKERS AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2022-08-25 — — US disclosed
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