SCHEMBL7705797

SCHEMBL7705797

O=C(O)CCCCCCC#Cc1ccccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.53
▸ CYSLTR2 Q9NS75 1/20 0.48
▸ CYSLTR1 Q9Y271 1/20 0.48
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PTGIR P43119 3/20 0.44
▸ LTB4R Q15722 3/20 0.43
▸ PTPN7 P35236 3/20 0.42
▸ HMGCR P04035 3/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 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
SCHEMBL7705794 0.81 CYSLTR2 (0.49) FFAR1CYSLTR2CYSLTR1MAPTKDM4E
SCHEMBL8352544 0.78 FFAR1 (0.57) FFAR1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL10592931 0.78 FFAR1 (0.57) FFAR1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL10795247 0.78 CYSLTR2 (0.65) FFAR1CYSLTR2CYSLTR1MAPTKDM4E
SCHEMBL7705813 0.77 FFAR1 (0.55) FFAR1CYSLTR2CYSLTR1MAPTKDM4E
SCHEMBL14007856 0.76 FFAR1 (0.57) FFAR1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL29418229 0.75 FFAR1 (0.46) FFAR1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL27809224 0.74 FFAR1 (0.56) FFAR1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL28453497 0.74 FFAR1 (0.55) FFAR1CYSLTR2CYSLTR1MAPTKDM4E
SCHEMBL8130523 0.73 FFAR1 (0.47) FFAR1MAPTKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355490-B1 CODING INDIVIDUAL MEMBERS OF LIBRARY; COVALENTLY BONDING NITRILE TO SOLID SUPPORT; DETECTION BY INFRARED OR RAMAN SPECTROSCOPY ABBOTT LABORATORIES 2002-03-12 — — US disclosed
US-6274385-B1 COVALENTLY ATTACHING TO EACH SOLID SUPPORT AT LEAST ONE ACETYLENE CODING IDENTIFIER DETECTABLE BY INFRARED OR RAMAN SPECTROSCOPY TO CODE INDIVIDUAL MEMBERS OF A COMBINATORIAL CHEMICAL LIBRARY ABBOTT LABORATORIES 2001-08-14 — — US disclosed
EP-0879219-B1 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS ABBOTT LAB (US) 2000-03-01 — — EP disclosed
EP-0879219-A1 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS Abbott Laboratories (US) 1998-11-25 — — EP disclosed
WO-1998011036-A9 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS — 1998-07-09 — — WO disclosed
WO-1998011036-A1 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS ABBOTT LABORATORIES (US) 1998-03-19 — — WO disclosed
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