SCHEMBL8987102

SCHEMBL8987102

O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.64
LTB4R2 Q9NPC1 1/20 0.64
FFAR1 O14842 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
HDAC1 Q13547 5/20 0.59
HDAC2 Q92769 5/20 0.59
HDAC3 O15379 4/20 0.59
HDAC4 P56524 4/20 0.59
HDAC7 Q8WUI4 4/20 0.59
HDAC10 Q969S8 4/20 0.59
HDAC11 Q96DB2 4/20 0.59
HDAC8 Q9BY41 4/20 0.59
HDAC6 Q9UBN7 4/20 0.59
HDAC9 Q9UKV0 4/20 0.59
HDAC5 Q9UQL6 4/20 0.59
PPARA Q07869 2/20 0.56
FABP1 P07148 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
SCHEMBL8355650 0.89 HDAC1 (0.72) LTB4RLTB4R2FFAR1FFAR4HDAC1
SCHEMBL7365315 0.89 HDAC1 (0.72) LTB4RLTB4R2FFAR1FFAR4HDAC1
SCHEMBL7044733 0.87 FFAR4 (0.72) LTB4RFFAR1FFAR4HDAC1HDAC2
SCHEMBL7515225 0.87 HDAC3 (0.77) FFAR1FFAR4HDAC1HDAC2HDAC3
SCHEMBL1007408 0.87 HDAC3 (0.77) FFAR1FFAR4HDAC1HDAC2HDAC3
SCHEMBL3381443 0.87 HDAC3 (0.77) FFAR1FFAR4HDAC1HDAC2HDAC3
SCHEMBL8987333 0.83 HDAC1 (0.51) LTB4RLTB4R2HDAC1HDAC2HDAC3
SCHEMBL25228768 0.83 PPARA (0.72) FFAR1FFAR4HDAC1HDAC2HDAC3
SCHEMBL503552 0.83 PPARA (0.72) FFAR1FFAR4HDAC1HDAC2HDAC3
SCHEMBL6342300 0.83 PPARA (0.72) FFAR1FFAR4HDAC1HDAC2HDAC3

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