SCHEMBL7029407

SCHEMBL7029407

O=C(O)C1CCC(C(=O)O)O1.O=C(O)C1CCOC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.36
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
PMP22 Q01453 1/20 0.30
TFPI2 P48307 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30

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
SCHEMBL44685 0.88 SUCNR1 (0.39) SUCNR1KDM4EGMNNLMNAPMP22
Hydrochloric Acid SCHEMBL1189461 0.86 SUCNR1 (0.38) SUCNR1KDM4EGMNNLMNAPMP22
Hydrochloric Acid SCHEMBL628216 0.86 SUCNR1 (0.38) SUCNR1KDM4EGMNNLMNAPMP22
SCHEMBL68843 0.76 LMNA (0.46) SUCNR1KDM4EGMNNLMNAPMP22
SCHEMBL38319 0.76 LMNA (0.46) SUCNR1KDM4EGMNNLMNAPMP22
SCHEMBL3835246 0.75 MEN1 (0.38) SUCNR1LMNA
SCHEMBL28269914 0.74 GABRR1 (0.36) LMNA
SCHEMBL12501790 0.69 TSHR (0.36) TSHR
SCHEMBL19550951 0.69
SCHEMBL1021769 0.69

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856025-B1 CHOLESTERIC PHASE-FORMING POLYMERS AND THEIR USE CELANESE VENTURES GMBH (DE) 2003-01-15 EP disclosed
EP-0856025-A1 CHOLESTERIC PHASE-FORMING POLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-08-05 EP disclosed
WO-1997014739-A1 CHOLESTERIC PHASE-FORMING POLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST RESEARCH & TECHNOLOGY (DE) 1997-04-24 WO disclosed