SCHEMBL10885385

SCHEMBL10885385

NC(=O)CCC(N)C(=O)NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.52
LMNA P02545 1/20 0.52
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
EPHX1 P07099 8/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
EPHX2 P34913 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
CASR P41180 1/20 0.46
ALOX15 P16050 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL11406503 1.00 BLM (0.52) BLMLMNADPP4DPP8DPP9
SCHEMBL10885389 1.00 BLM (0.52) BLMLMNADPP4DPP8DPP9
SCHEMBL30799584 0.91 BLM (0.56) BLMLMNADPP4DPP8DPP9
SCHEMBL24322687 0.87 SMN1; SMN2 (0.55) BLMLMNADPP4DPP8EPHX1
SCHEMBL10886863 0.83 EPHX1 (0.45) BLMLMNAEPHX1SMN1; SMN2NPC1
SCHEMBL10889695 0.83 EPHX1 (0.45) BLMLMNAEPHX1SMN1; SMN2NPC1
SCHEMBL28337863 0.80 CPB2 (0.49) BLMLMNADPP4DPP8DPP9
SCHEMBL3592432 0.80 CPB2 (0.49) BLMLMNADPP4DPP8DPP9
SCHEMBL8450554 0.79 LMNA (0.48) BLMLMNAEPHX1SMN1; SMN2NPC1
SCHEMBL18459934 0.79 EPHX1 (0.48) BLMLMNAEPHX1SMN1; SMN2NPC1

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-0078152-B1 SALTS OF SULFODEHYDROABIETIC ACID AND TREATMENT OF GASTRO-INTESTINAL DISEASES Tanabe Seiyaku Co., Ltd. (JP) 1986-05-07 EP disclosed
US-4529602-A Sulfodehydroabietic acid compound TANABE SEIYAKU CO., LTD. (JP) 1985-07-16 US disclosed
EP-0078152-A1 Salts of sulfodehydroabietic acid and treatment of gastro-intestinal diseases Tanabe Seiyaku Co., Ltd. (JP) 1983-05-04 EP disclosed