SCHEMBL6234400

SCHEMBL6234400

CC1(C)CCC(C)(CC(=O)O)N1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 2/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR3 O14843 1/20 0.31
GABRA5 P31644 1/20 0.30
GABRB2 P47870 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
SCHEMBL6236211 0.71
SCHEMBL8602642 0.70 LMNA (0.35) CYP1A2ALDH1A1LMNATSHRFFAR3
SCHEMBL17931807 0.68
SCHEMBL6237606 0.68 KDM4E (0.31)
SCHEMBL244419 0.68 GAA (0.39) ALDH1A1
SCHEMBL20041203 0.65 FFAR1 (0.42) CYP2C19KMT2ACYP1A2USP2ALDH1A1
SCHEMBL4852108 0.64 FFAR3 (0.41) CYP2C19TSHRFFAR3
SCHEMBL13451208 0.64 CYP2C19 (0.42) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL598110 0.64
Sebacic Acid SCHEMBL28325940 0.64 TSHR (0.46) KMT2AALDH1A1LMNATSHRFFAR1

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