SCHEMBL18595249

SCHEMBL18595249

CCC(C)CC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
PDE8B O95263 1/20 0.32
EPHX1 P07099 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SHBG P04278 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
SCHEMBL28222611 0.94 HTT (0.38) HTTUSP2SMN1; SMN2TP53HPGD
SCHEMBL4372558 0.82 PDE8B (0.36) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL18833108 0.82 NOS1 (0.36) HTTUSP2SMN1; SMN2TP53HPGD
SCHEMBL12090067 0.81 PDE8B (0.36) HTTUSP2SMN1; SMN2TP53HPGD
SCHEMBL8860611 0.81 PDE8B (0.36) HTTUSP2SMN1; SMN2TP53HPGD
SCHEMBL12089502 0.81 PDE8B (0.36) HTTUSP2SMN1; SMN2TP53HPGD
SCHEMBL17937254 0.79 TP53 (0.33) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL797696 0.79 PDE8B (0.35) HTTUSP2SMN1; SMN2TP53HPGD
SCHEMBL13502926 0.78 ANPEP (0.34) HTTUSP2SMN1; SMN2TP53HPGD
SCHEMBL10379970 0.78 USP2 (0.35) HTTUSP2SMN1; SMN2TP53HPGD

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
US-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed