SCHEMBL30955191

SCHEMBL30955191

CC1(C)OB(c2ccc(Cl)c([N+](=O)[O-])c2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 14/20 0.47
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
RAF1 P04049 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL23926487 1.00 VCAM1 (0.47) VCAM1LPLLIPGALDH1A1LMNA
SCHEMBL28453522 0.88 TSHR (0.49) LPLLIPGALDH1A1LMNAMAPT
SCHEMBL29398685 0.83 MAPT (0.45) LPLLIPGALDH1A1MAPTHPGD
SCHEMBL4550135 0.83 ALDH1A1 (0.47) LPLLIPGALDH1A1LMNAMAPT
SCHEMBL3678053 0.83 MAPT (0.45) LPLLIPGALDH1A1MAPTHPGD
SCHEMBL190588 0.83 TDP1 (0.54) LPLLIPGALDH1A1LMNAMAPT
SCHEMBL2489484 0.82 ALDH1A1 (0.56) VCAM1LPLLIPGALDH1A1LMNA
SCHEMBL14158127 0.82 ALDH1A1 (0.56) LPLLIPGALDH1A1LMNAMAPT
SCHEMBL4771663 0.79 ALDH1A1 (0.45) ALDH1A1LMNAMAPTTDP1
SCHEMBL1237710 0.79 ALDH1A1 (0.41) LPLLIPGALDH1A1MAPTMAPK1

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
EP-4638441-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2025-10-29 EP disclosed
WO-2024133499-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2024-06-27 WO disclosed