SCHEMBL9448849

SCHEMBL9448849

CCOP(=O)(OCC)C(CCC(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
MAPT P10636 4/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FOLH1 Q04609 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL1837398 0.80 POLB (0.64) POLBMAPTALDH1A1LMNAMAPK1
SCHEMBL8352708 0.80 POLB (0.59) POLBMAPTALDH1A1LMNAMAPK1
SCHEMBL4425759 0.79 POLB (0.51) POLBMAPTALDH1A1LMNAMAPK1
SCHEMBL5035396 0.77 ACP3 (0.64) ALDH1A1
SCHEMBL28888471 0.75 SMN1; SMN2 (0.57) POLBMAPTALDH1A1LMNAMAPK1
SCHEMBL14520500 0.75 POLB (0.57) POLBMAPTALDH1A1LMNAMAPK1
SCHEMBL9448871 0.75 ACP3 (0.53) LMNA
SCHEMBL7261188 0.74 POLB (0.65) POLBMAPTALDH1A1LMNAMAPK1
SCHEMBL4425132 0.74 HSD17B10 (0.50) POLBMAPTLMNASMN1; SMN2
SCHEMBL4426488 0.74 POLB (0.55) POLBMAPTALDH1A1LMNAMAPK1

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-5242908-A Of dna and rna HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-07 US disclosed
EP-0440148-A1 Use of benzylphosphonic acid derivates for the treatment of viral diseases HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-07 EP disclosed