SCHEMBL8987027

SCHEMBL8987027

O=C(O)CCCC/C=C/c1cccc(Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.56
▸ TOP1 P11387 1/20 0.49
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC8 Q9BY41 3/20 0.45
▸ MAPT P10636 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LTB4R Q15722 2/20 0.43
▸ LTB4R2 Q9NPC1 1/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ HDAC5 Q9UQL6 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ADRA1A P35348 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
SCHEMBL8987031 1.00 TBXAS1 (0.56) TBXAS1TOP1HDAC1HDAC8MAPT
SCHEMBL850920 0.83 TBXAS1 (0.69) TBXAS1TOP1HDAC1HDAC8MAPT
SCHEMBL850919 0.83 TBXAS1 (0.69) TBXAS1TOP1HDAC1HDAC8MAPT
SCHEMBL8093646 0.82 TBXAS1 (0.68) TBXAS1TOP1HDAC1HDAC8MAPT
SCHEMBL9303907 0.82 TBXAS1 (0.68) TBXAS1TOP1HDAC1HDAC8MAPT
SCHEMBL11606213 0.82 TBXAS1 (0.68) TBXAS1TOP1HDAC1HDAC8MAPT
SCHEMBL849354 0.82 TBXAS1 (0.68) TBXAS1TOP1HDAC1HDAC8MAPT
SCHEMBL5176079 0.82 TBXAS1 (0.68) TBXAS1TOP1HDAC1HDAC8MAPT
SCHEMBL849353 0.82 TBXAS1 (0.68) TBXAS1TOP1HDAC1HDAC8MAPT
SCHEMBL8093649 0.82 TBXAS1 (0.68) TBXAS1TOP1HDAC1HDAC8MAPT

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
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