SCHEMBL11024933

SCHEMBL11024933

COc1ccc(C(=O)NCCCCCC(=O)O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 1.00
SMN1; SMN2 Q16637 3/20 0.74
MAPK1 P28482 2/20 0.74
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
HPGD P15428 1/20 0.58
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
LMNA P02545 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
SMPD1 P17405 1/20 0.56
MAPT P10636 1/20 0.56
TP53 P04637 1/20 0.55

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
SCHEMBL2677587 0.94 POLB (0.90) POLBSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL11761148 0.92 POLB (0.84) POLBSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL28134814 0.90 POLB (0.81) POLBSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL8654966 0.90 POLB (0.81) POLBSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL1233409 0.89 POLB (0.81) POLBSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL3199273 0.89 POLB (0.80) POLBSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL1232924 0.87 POLB (0.77) POLBHPGD
SCHEMBL28907470 0.86 POLB (0.76) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3880413 0.86 POLB (0.76) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL21523581 0.86 POLB (0.76) POLBSMN1; SMN2MAPK1NPC1RAB9A

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-0059108-B1 DERIVATIVES OF DIHYDROXYBENZOIC ACID KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-08-14 EP disclosed
US-4409240-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS, BRONCHODILATOR, AND ANTIARTHRITIC AGENTS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-10-11 US disclosed
EP-0059108-A1 Derivatives of dihydroxybenzoic acid KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-09-01 EP disclosed