SCHEMBL8987255

SCHEMBL8987255

CCOC(=O)CCCCCOc1cc(-c2ccccc2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.55
TBXAS1 P24557 2/20 0.47
FAAH O00519 4/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL8987334 0.84 LTB4R (0.67) LTB4R
SCHEMBL8987406 0.84 LTB4R (0.63) LTB4R
SCHEMBL8987473 0.83 LTB4R (0.79) LTB4R
SCHEMBL8987366 0.83 LTB4R (0.79) LTB4R
SCHEMBL8987355 0.82 LTB4R (0.77) LTB4R
SCHEMBL7370657 0.81 HDAC1 (0.63) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL8987488 0.81 LTB4R (0.58) LTB4R
SCHEMBL8987095 0.80 LTB4R (0.80) LTB4R
SCHEMBL8986982 0.80 LTB4R (0.80) LTB4R
SCHEMBL8987333 0.80 HDAC1 (0.51) LTB4RFAAHHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed