SCHEMBL9119832

SCHEMBL9119832

CCCC(F)(F)C(O)CCC[C@@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.55
▸ HPGD P15428 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ NR4A1 P22736 1/20 0.55
▸ PTPN7 P35236 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ MAPT P10636 4/20 0.52
▸ UCHL3 P15374 1/20 0.52
▸ GALR3 O60755 1/20 0.45
▸ EP300 Q09472 1/20 0.45
▸ PTGER4 P35408 6/20 0.42
▸ PTGER3 P43115 5/20 0.42
▸ PTGER2 P43116 4/20 0.42
▸ PTGER1 P34995 4/20 0.42
▸ PPARG P37231 3/20 0.41

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
SCHEMBL9119838 1.00 TRPA1 (0.55) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL8822969 0.83 TRPA1 (0.48) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL2948516 0.83 TRPA1 (0.61) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL2948519 0.83 TRPA1 (0.61) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL8822983 0.83 TRPA1 (0.50) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL8822989 0.83 TRPA1 (0.50) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL8822884 0.79 PTGER2 (0.47) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL8822883 0.79 PTGER2 (0.47) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL19732190 0.77 TRPA1 (0.64) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL21631706 0.77 TRPA1 (0.59) TRPA1HPGDMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444844-B1 New 15-dehydroxy-16-oxoprostaglandins R TECH UENO LTD (JP) 1995-01-18 — — EP disclosed
US-5221799-A New 15-dehydroxy-16-oxoprostaglandins K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1993-06-22 — — US disclosed
EP-0444844-A2 New 15-dehydroxy-16-oxoprostaglandins R-TECH UENO LTD. (JP) 1991-09-04 — — EP disclosed
Send feedback