SCHEMBL4409031

SCHEMBL4409031

CCOC(=O)CC[C@@H]1OCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 1/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KMT2A Q03164 1/20 0.34
NLRP3 Q96P20 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL2200994 0.73 ALDH1A1 (0.38) LMNATSHRALDH1A1GAAKMT2A
SCHEMBL9803234 0.72 CYP2D6 (0.46) LMNATSHRALDH1A1USP2ALOX15
SCHEMBL13556317 0.71 ALDH1A1 (0.45) LMNATSHRPOLBALDH1A1USP2
SCHEMBL10614240 0.71 ALDH1A1 (0.42) LMNATSHRPOLBALDH1A1USP2
SCHEMBL11323271 0.71 ALDH1A1 (0.44) LMNATSHRPOLBALDH1A1USP2
SCHEMBL6675357 0.70 NPC1 (0.55) LMNAALDH1A1USP2ALOX15TDP1
SCHEMBL20139152 0.70 ALDH1A1 (0.42) LMNATSHRPOLBALDH1A1USP2
SCHEMBL2597869 0.69 ALDH1A1 (0.43) ALDH1A1USP2ALOX15TDP1CYP2D6
SCHEMBL6036885 0.69 NPC1 (0.56) LMNATSHRPOLBALDH1A1USP2
SCHEMBL14818865 0.69 ALDH1A1 (0.40) LMNATSHRALDH1A1USP2ALOX15

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-2009077608-A1 2 -AMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 ANTAGONISTS PALAU PHARMA, S. A. (ES) 2009-06-25 WO disclosed