SCHEMBL1697299

SCHEMBL1697299

CC12CC[C@](C(=O)O)(OC1=O)C2(C)C.CC12CC[C@](C(=O)O)(OC1=O)C2(C)C.CNC12CCCC1(C)C1CCC2C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ PTBP1 P26599 1/20 0.40
▸ ALOX12 P18054 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5575317 0.76 POLB (0.59) TSHRKMT2AMEN1L3MBTL1GAA
SCHEMBL3192032 0.76 POLB (0.59) TSHRKMT2AMEN1L3MBTL1GAA
SCHEMBL98457 0.76 POLB (0.59) TSHRKMT2AMEN1L3MBTL1GAA
SCHEMBL223631 0.76 POLB (0.59) TSHRKMT2AMEN1L3MBTL1GAA
SCHEMBL6206953 0.76 POLB (0.59) TSHRKMT2AMEN1L3MBTL1GAA
SCHEMBL1697307 0.74 CHRNB2 (0.42) —
SCHEMBL1697295 0.74 CHRNB2 (0.42) —
Hydrochloric Acid SCHEMBL1697308 0.73 CHRNB2 (0.41) —
SCHEMBL1697301 0.68 EPHX2 (0.34) KMT2AMEN1ALDH1A1NPSR1HTT
SCHEMBL14214024 0.66 POLB (0.66) TSHRKMT2AMEN1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011149862-A1 NICOTINIC RECEPTOR NON-COMPETITIVE ANTAGONISTS MODULATORS TARGACEPT, INC. (US) 2011-12-01 — — WO disclosed
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