SCHEMBL25211507

SCHEMBL25211507

CC(C)n1nc(C(F)(F)F)cc1C[C@@H](C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.38
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
APAF1 O14727 2/20 0.36
KLKB1 P03952 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TRPV1 Q8NER1 7/20 0.34
CARM1 Q86X55 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL25212749 1.00 MLYCD (0.38) MLYCDLMNAPOLBAPAF1KLKB1
SCHEMBL25267624 1.00 MLYCD (0.38) MLYCDLMNAPOLBAPAF1KLKB1
SCHEMBL25577008 0.84 MLYCD (0.42) MLYCDLMNAPOLBKDM4EGAA
SCHEMBL25240747 0.84 MLYCD (0.42) MLYCDLMNAPOLBKDM4EGAA
SCHEMBL25577006 0.84 MLYCD (0.42) MLYCDLMNAPOLBKDM4EGAA
SCHEMBL15724389 0.82 TGFBR1 (0.33) LMNAKDM4ETRPV1TSHRGAA
SCHEMBL25214379 0.79 TGFBR1 (0.33) TRPV1GAA
SCHEMBL25238172 0.79 TGFBR1 (0.33) TRPV1GAA
SCHEMBL25212908 0.79 TGFBR1 (0.33) TRPV1GAA
SCHEMBL6886845 0.78 CRACR2A (0.34) LMNAKDM4ETRPV1TSHRGAA

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-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed