SCHEMBL940895

SCHEMBL940895

O=C(O)C=CC(=O)C=CC=C(O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
TP53 P04637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 2/20 0.41
RECQL P46063 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL454525 0.85 TSHR (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL454524 0.85 TSHR (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL19379407 0.85 TSHR (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL12486634 0.76 LMNA (0.35) PTGS1
SCHEMBL12486635 0.76 LMNA (0.35) PTGS1
SCHEMBL28904990 0.76 TSHR (0.75) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL1603051 0.72 TSHR (0.50) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL1603050 0.72 TSHR (0.50) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL2928506 0.70 PTGS1 (0.43) TSHRALDH1A1ALOX15RECQLHSD17B10
SCHEMBL2931476 0.70 PTGS1 (0.43) TSHRALDH1A1ALOX15RECQLHSD17B10

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-20250037787-A1 CONCENTRATION BOUNDS IN LARGE NETWORKS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-01-30 US disclosed
US-7869957-B2 Methods and systems to identify operational reaction pathways THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-11 US disclosed