SCHEMBL2479698

SCHEMBL2479698

O=C(O)CC1(C2CCCCC2)C=CC=CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.35
CYP1A2 P05177 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL2481427 0.98 HSD11B1 (0.36) HSD11B1CYP1A2USP2ALDH1A1LMNA
SCHEMBL27835960 0.80
SCHEMBL20471514 0.75 CYP1A2 (0.37) HSD11B1CYP1A2USP2ALDH1A1LMNA
SCHEMBL6338110 0.75
SCHEMBL28269848 0.75
Formaldehyde SCHEMBL28269847 0.74 HSD11B1 (0.32) HSD11B1
SCHEMBL5665487 0.74
SCHEMBL28209464 0.71 HSD11B1 (0.31) HSD11B1
SCHEMBL9845528 0.71 CYP1A2 (0.32) CYP1A2
Formaldehyde SCHEMBL27988991 0.71 CYP1A2 (0.30) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376894-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS The Lubrizol Corporation (US) 2011-10-19 EP disclosed
EP-2373977-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS The Lubrizol Corporation (US) 2011-10-12 EP disclosed
WO-2010077753-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS THE LUBRIZOL CORPORATION (US) 2010-07-08 WO disclosed
WO-2010077754-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS THE LUBRIZOL CORPORATION (US) 2010-07-08 WO disclosed