SCHEMBL3671492

SCHEMBL3671492

O=C(Cl)c1ccc(OC2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.49
PARP10 Q53GL7 1/20 0.49
ACSL1 P33121 3/20 0.47
ACSL3 O95573 1/20 0.46
ACSL6 Q9UKU0 1/20 0.46
EPHX2 P34913 6/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FAAH O00519 2/20 0.43
MAP4K4 O95819 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL4285489 0.90 PARP10 (0.58) PARP10EPHX2ALDH1A1LMNACASP3
SCHEMBL13255507 0.87 ALDH1A1 (0.60) DGAT1PARP10ACSL1ACSL3ACSL6
SCHEMBL10188577 0.86 PARP10 (0.47) PARP10EPHX2ALDH1A1LMNACASP3
SCHEMBL601886 0.83 PARP10 (0.45) PARP10EPHX2ALDH1A1FAAH
SCHEMBL601885 0.83 PARP10 (0.45) PARP10EPHX2ALDH1A1FAAH
SCHEMBL1027693 0.83 PARP10 (0.64) PARP10EPHX2ALDH1A1LMNACASP3
Hydrochloric Acid SCHEMBL11239627 0.82 MAPT (0.47) ALDH1A1LMNAGAA
SCHEMBL2757108 0.82 DGAT1 (0.46) DGAT1PARP10ACSL1ACSL3ACSL6
SCHEMBL11758749 0.81 PARP10 (0.62) PARP10EPHX2ALDH1A1LMNACASP3
SCHEMBL1749499 0.81 ACSL1 (0.56) DGAT1ACSL1ACSL3ACSL6EPHX2

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
EP-2391611-B1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO disclosed