SCHEMBL8937957

SCHEMBL8937957

C=C(CCCCCC/C=C\C/C=C\CCCCCCCC(=O)O)C(=O)OCC1CO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
F7 P08709 5/20 0.46
F3 P13726 5/20 0.46
CYP19A1 P11511 3/20 0.46
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
OXER1 Q8TDS5 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
FFAR1 O14842 2/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
PTGS1 P23219 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
DUSP3 P51452 1/20 0.46

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
SCHEMBL4898331 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4
SCHEMBL11291536 0.79 MGLL (0.50)
Linoleic Acid SCHEMBL28575446 0.79 ALDH1A1 (0.58) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL27536032 0.78 ALDH1A1 (0.59) ALDH1A1CYP3A4
SCHEMBL2952137 0.77 ALDH1A1 (0.54) ALDH1A1FFAR1LMNACYP3A4FFAR4
SCHEMBL4103624 0.77 ALDH1A1 (0.54) ALDH1A1FFAR1LMNACYP3A4FFAR4
Undecylenic Acid SCHEMBL27811723 0.77 ALDH1A1 (0.62) ALDH1A1MAPTLMNACYP3A4RECQL
SCHEMBL4890193 0.76 ALDH1A1 (0.53) ALDH1A1LMNACYP3A4
SCHEMBL866090 0.76 ALDH1A1 (0.57) ALDH1A1TDP1
SCHEMBL9441611 0.76 ALDH1A1 (0.57) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489303-A BOUND TO THE SURFACE OF POLYMERIC SUBSTRATE VIA A COPOLYMER CONTAINING EPOXY, CARBOXY, CARBOXYESTER, ALCOHOL AND ALDEHYDE REACTIVE GROUPS TERUMO KABUSHIKI KAISHA (JP) 1996-02-06 US disclosed