SCHEMBL6745227

SCHEMBL6745227

C/C(=C/C(=O)O)C(=O)OC(=O)/C(C)=C\C(=O)O.NC(=O)/C=C\C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 2/20 0.35
RECQL P46063 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
HCAR2 Q8TDS4 3/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL20025 0.83 HTT (0.36) TSHRALDH1A1TDP1KDM4EMAPT
SCHEMBL623254 0.83 HTT (0.36) TSHRALDH1A1TDP1KDM4EMAPT
SCHEMBL5804758 0.77 HTT (0.37) TSHRALDH1A1TDP1KDM4EMAPT
Acetic Acid SCHEMBL27512596 0.76 TSHR (0.53) TSHRALDH1A1ALOX15RECQLHSD17B10
Glycine SCHEMBL11849448 0.76 GLRA1 (0.42) TSHRALDH1A1KDM4E
Fumaric Acid SCHEMBL29989236 0.75 HCAR2 (0.50) TSHRALDH1A1ALOX15RECQLHSD17B10
SCHEMBL5804761 0.75 HTT (0.32) ALDH1A1HCAR2
SCHEMBL27531631 0.75 HTT (0.32) ALDH1A1HCAR2
SCHEMBL27961336 0.75 HTT (0.32) ALDH1A1HCAR2
SCHEMBL5670909 0.75 HCAR2 (0.39) TSHRALDH1A1TDP1HCAR2KDM4E

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-6692825-B2 SUPERABSORBENT FIBERS; DISPOSABLE PRODUCTS KIMBERLY-CLARK WORLDWIDE, INC. 2004-02-17 US disclosed
US-20020164914-A1 Synthetic fiber nonwoven web and method KIMBERLY-CLARK WORLDWIDE, INC. 2002-11-07 US disclosed