SCHEMBL5244754

SCHEMBL5244754

CCCCCCCOC(=O)C(O)(c1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PPARG P37231 3/20 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
Hydrochloric Acid SCHEMBL5246660 0.99 MEN1 (0.50) TSHRALDH1A1LMNAMEN1KMT2A
Bromide SCHEMBL5245954 0.99 TSHR (0.49) TSHRALDH1A1LMNAMEN1KMT2A
Succinic Acid SCHEMBL5244743 0.95 TSHR (0.46) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL5244714 0.88 LMNA (0.49) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL27881690 0.86 LMNA (0.48) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL14604173 0.86 LMNA (0.48) TSHRALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL5244836 0.86 MEN1 (0.49) TSHRALDH1A1LMNAMEN1KMT2A
Boric Acid SCHEMBL5245329 0.84 LMNA (0.46) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL5709937 0.82 MEN1 (0.61) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL5709848 0.82 MEN1 (0.61) TSHRALDH1A1LMNAMEN1KMT2A

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-1828126-A1 ACID ADDITION SALTS OF MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-09-05 EP disclosed
WO-2006064304-A1 ACID ADDITION SALTS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-06-22 WO disclosed