SCHEMBL6240704

SCHEMBL6240704

CCCCCCC1(C)CCC(C)(C)N1[O]

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
CYP19A1 P11511 8/20 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
SCHEMBL6237604 0.92 HSD17B10 (0.32)
SCHEMBL21925183 0.86 SIRT2 (0.31) SIRT2
SCHEMBL6236205 0.83
SCHEMBL6236416 0.76
SCHEMBL21925170 0.71 GNAI3 (0.32) POLA1
SCHEMBL20557022 0.71 POLA1 (0.36) POLA1
SCHEMBL13464078 0.68 KDM4E (0.31)
SCHEMBL6258743 0.68
SCHEMBL24575458 0.67 TSHR (0.40) TSHRTHRB
SCHEMBL93390 0.67

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-2005003759-A1 A METHOD FOR ANALYSIS OF A BEVERAGE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2005-01-13 WO disclosed