SCHEMBL6421985

SCHEMBL6421985

CC(C)(C)[N+]1(C(=O)[O-])CCC[C@H](O)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
CYP2C19 P33261 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
SCHEMBL5968494 1.00 TSHR (0.35) TSHRMEN1KMT2ALMNATHRB
SCHEMBL3651917 0.89 LMNA (0.32) LMNATHRBCYP2C19
SCHEMBL3648749 0.89 LMNA (0.32) LMNATHRBCYP2C19
SCHEMBL794100 0.81 MEN1 (0.34) TSHRMEN1KMT2A
SCHEMBL793843 0.81 MEN1 (0.34) TSHRMEN1KMT2A
SCHEMBL1571074 0.79 MEN1 (0.32) TSHRMEN1KMT2ALMNATHRB
SCHEMBL1693080 0.78 MEN1 (0.33) TSHRMEN1KMT2A
SCHEMBL1692713 0.78 MEN1 (0.33) TSHRMEN1KMT2A
SCHEMBL6414470 0.78 MEN1 (0.33) TSHRMEN1KMT2ALMNACYP2C19
SCHEMBL6414862 0.78 MEN1 (0.33) TSHRMEN1KMT2ALMNACYP2C19

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-1597264-A2 ANTIPARASITIC TERPENE ALKALOIDS Pfizer Limited (GB) 2005-11-23 EP disclosed
WO-2004072086-A2 ANTIPARASITIC TERPENE ALKALOIDS PFIZER LIMITED (GB) 2004-08-26 WO disclosed