SCHEMBL5580355

SCHEMBL5580355

O=C(CI)OC(=O)CCC(=O)OC(=O)CI

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL56558 0.90
SCHEMBL2596566 0.89 EGLN1 (0.45) ALDH1A1TSHRKDM4ELMNAPMP22
Bromide SCHEMBL27622211 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EGMNNUSP2LMNA
SCHEMBL876248 0.85 ALDH1A1 (0.37) ALDH1A1
SCHEMBL1768486 0.82 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1140512 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL950852 0.77
SCHEMBL949764 0.77
SCHEMBL4048572 0.77 DGKA (0.55) ALDH1A1TSHRLMNAALOX15HSD17B10
SCHEMBL3184484 0.73 ALDH1A1 (0.46) ALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070264667-A1 Method and system for assaying transferase activity GELLIBOLIAN ROBERT 2007-11-15 US disclosed
WO-2005024380-A9 METHOD AND SYSTEM FOR ASSAYING TRANSFERASE ACTIVITY GELLIBOLIAN ROBERT (US) 2005-07-07 WO disclosed
WO-2005024380-A2 METHOD AND SYSTEM FOR ASSAYING TRANSFERASE ACTIVITY GELLIBOLIAN ROBERT (US) 2005-03-17 WO disclosed