SCHEMBL8987510

SCHEMBL8987510

O=C(O)CCCCCCc1cccc(Cc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.71
▸ RXFP1 Q9HBX9 1/20 0.71
▸ LTB4R Q15722 4/20 0.62
▸ HDAC3 O15379 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ HDAC4 P56524 1/20 0.59
▸ SLC6A3 Q01959 1/20 0.59
▸ HDAC1 Q13547 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ HDAC7 Q8WUI4 1/20 0.59
▸ HDAC2 Q92769 1/20 0.59
▸ HDAC10 Q969S8 1/20 0.59
▸ HDAC11 Q96DB2 1/20 0.59
▸ HDAC8 Q9BY41 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ HDAC9 Q9UKV0 1/20 0.59
▸ HDAC5 Q9UQL6 1/20 0.59
▸ PLA2G10 O15496 1/20 0.56
▸ PLA2G2A P14555 1/20 0.56

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
SCHEMBL1197247 0.91 MAPT (0.78) MAPTRXFP1LTB4RHDAC3MAPK1
SCHEMBL7045419 0.88 MAPT (0.85) MAPTRXFP1LTB4RHDAC3MAPK1
SCHEMBL29615068 0.86 KEAP1 (0.67) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL27578485 0.85 MAPT (0.68) MAPTRXFP1LTB4RHDAC3MAPK1
SCHEMBL25342051 0.84 HDAC3 (0.76) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL2548842 0.84 MAPT (1.00) MAPTRXFP1LTB4RHDAC3MAPK1
SCHEMBL1007173 0.84 MAPT (1.00) MAPTRXFP1LTB4RHDAC3MAPK1
SCHEMBL2552651 0.84 MAPT (1.00) MAPTRXFP1LTB4RHDAC3MAPK1
SCHEMBL1290374 0.84 MAPT (1.00) MAPTRXFP1LTB4RHDAC3MAPK1
Phenylheptanoic Acid SCHEMBL535246 0.84 MAPT (1.00) MAPTRXFP1LTB4RHDAC3MAPK1

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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