SCHEMBL18849596

SCHEMBL18849596

COC(=O)C1(OC)CCC(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL18789280 0.83 NPSR1 (0.35) NPSR1MAPTLMNAPOLBMEN1
SCHEMBL1469083 0.82
SCHEMBL18789232 0.82 NPSR1 (0.34) NPSR1MAPTLMNA
SCHEMBL21070704 0.81 NPSR1 (0.32) NPSR1EPHX1MAPT
SCHEMBL23904378 0.81 CYP2C19 (0.34) NPSR1LMNAGAACYP2C9CYP2C19
SCHEMBL4870839 0.78 NPSR1 (0.38) NPSR1EPHX1MAPTLMNAPOLB
SCHEMBL2775123 0.78 NPSR1 (0.50) NPSR1MAPTLMNAMEN1KMT2A
SCHEMBL25228494 0.78 NPSR1 (0.45) NPSR1MAPTLMNAMEN1KMT2A
SCHEMBL23888104 0.77 NPSR1 (0.32) NPSR1MAPT
SCHEMBL1472063 0.77 FFAR3 (0.37) NPSR1EPHX1MAPTLMNAPOLB

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-3371171-B1 INHIBITORS OF RET BLUEPRINT MEDICINES CORP (US) 2023-10-25 EP disclosed
WO-2017079140-A1 INHIBITORS OF RET BLUEPRINT MEDICINES CORPORATION (US) 2017-05-11 WO disclosed