SCHEMBL9407470

SCHEMBL9407470

CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
ALOX15 P16050 5/20 0.55
CYP2D6 P10635 1/20 0.55
PPARG P37231 8/20 0.52
CYP19A1 P11511 6/20 0.52
FFAR1 O14842 5/20 0.52
OXER1 Q8TDS5 4/20 0.52
MAPT P10636 4/20 0.52
RXRA P19793 2/20 0.52
PPARA Q07869 7/20 0.52
F7 P08709 7/20 0.52
F3 P13726 7/20 0.52
PPARD Q03181 6/20 0.52
PTGS1 P23219 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 3/20 0.52
CYP3A4 P08684 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52

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
SCHEMBL9407472 1.00 ALDH1A1 (0.55) ALDH1A1ALOX15CYP2D6PPARGCYP19A1
SCHEMBL8979284 1.00 ALDH1A1 (0.55) ALDH1A1ALOX15CYP2D6PPARGCYP19A1
SCHEMBL9407474 1.00 ALDH1A1 (0.55) ALDH1A1ALOX15CYP2D6PPARGCYP19A1
SCHEMBL3683935 1.00 ALDH1A1 (0.55) ALDH1A1ALOX15CYP2D6PPARGCYP19A1
SCHEMBL1564477 0.93
SCHEMBL841087 0.93
SCHEMBL841088 0.93
SCHEMBL31501796 0.90 PPARA (0.50) ALDH1A1ALOX15CYP2D6PPARGCYP19A1
SCHEMBL6899945 0.88 PPARA (0.49) ALDH1A1ALOX15PPARGCYP19A1FFAR1
SCHEMBL19830162 0.88 PPARA (0.49) ALDH1A1ALOX15CYP2D6PPARGCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6293789-A None JP disclosed
JP-H06293789-A MULTIVALENT UNSATURATED FATTY ACID GLUCOSIDE AND ITS PRODUCTION TEIJIN LTD 1994-10-21 JP disclosed