SCHEMBL6944653

SCHEMBL6944653

c1ccc([C]2OCCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
KMT2A Q03164 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
RECQL P46063 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3243868 0.89 ITGB2 (0.48) ALDH1A1ITGB2ICAM1ITGALKMT2A
SCHEMBL943201 0.78 ABCG2 (0.48) ALDH1A1ITGB2ICAM1ITGALKMT2A
Biphenyl SCHEMBL7773788 0.77 ALDH1A1 (0.60) ALDH1A1KMT2ANPC1RAB9AFAAH
Biphenyl SCHEMBL1476553 0.77 ALDH1A1 (0.60) ALDH1A1KMT2ANPC1RAB9AFAAH
SCHEMBL498076 0.70 ATM (0.39) ALDH1A1ITGB2ICAM1ITGALKMT2A
SCHEMBL8023323 0.69 ITGB2 (0.77) ALDH1A1ITGB2ICAM1ITGALKMT2A
SCHEMBL29408297 0.69 ITGB2 (0.77) ALDH1A1ITGB2ICAM1ITGALKMT2A
SCHEMBL9351 0.69 ITGB2 (0.77) ALDH1A1ITGB2ICAM1ITGALKMT2A
Biphenyl SCHEMBL27724019 0.68 ALDH1A1 (0.47) ALDH1A1KMT2ANPC1RAB9AFAAH
Biphenyl SCHEMBL1950579 0.67 ALDH1A1 (0.64) ALDH1A1ITGB2ICAM1ITGALKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003519628-A 2003-06-24 JP claimed
EP-1257558-A1 METHODS FOR SYNTHESIS OF ALPHA-D-GAL (1- 3) GAL-CONTAINING OLIGOSACCHARIDES Alchemia Pty Ltd (AU) 2002-11-20 EP claimed
WO-2001051499-A1 METHODS FOR SYNTHESIS OF α-D-GAL (1→3) GAL-CONTAINING OLIGOSACCHARIDES ALCHEMIA PTY LTD (AU) 2001-07-19 WO claimed
CN-114450324-B Heterobifunctional monodisperse polyethylene glycols with peptide linkers 日油株式会社 2024-02-27 CN disclosed
CN-111836846-B Heterobifunctional compounds with monodisperse polyethylene glycols in the main and side chains 日油株式会社 2023-06-13 CN disclosed
CN-110475802-B Heterobifunctional monodisperse polyethylene glycol and conjugate using same 日油株式会社 2022-03-08 CN disclosed
CN-111836846-A Heterobifunctional compounds having monodisperse polyethylene glycol in main and side chains 日油株式会社 2020-10-27 CN disclosed
CN-1436161-A Use of ketones as precursors of active compounds FIRMENICH & CIE (CH) 2003-08-13 CN disclosed