SCHEMBL5452842

SCHEMBL5452842

CCCCC/C=C\C/C=C\CCCCCCCC(=O)Oc1ccc(/C=C/C(=O)O)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 4/20 0.72
▸ AKR1C3 P42330 8/20 0.60
▸ AKR1C2 P52895 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ EPHX2 P34913 1/20 0.52
▸ ACHE P22303 2/20 0.50
▸ HTR1A P08908 1/20 0.49
▸ SNCA P37840 1/20 0.48

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
SCHEMBL5452849 1.00 TOP2A (0.72) TOP2AAKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL31722975 0.95 TOP2A (0.63) TOP2AAKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL30886669 0.95 TOP2A (0.63) TOP2AAKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL27214652 0.95 TOP2A (0.63) TOP2AAKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL27214671 0.95 TOP2A (0.63) TOP2AAKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL31722977 0.93 TOP2A (0.65) TOP2AAKR1C3AKR1C2KDM4EALOX15
SCHEMBL27231190 0.93 TOP2A (0.65) TOP2AAKR1C3AKR1C2KDM4EALOX15
SCHEMBL27214654 0.93 TOP2A (0.65) TOP2AAKR1C3AKR1C2KDM4EALOX15
SCHEMBL30886656 0.93 TOP2A (0.65) TOP2AAKR1C3AKR1C2KDM4EALOX15
SCHEMBL27231191 0.93 TOP2A (0.65) TOP2AAKR1C3AKR1C2KDM4EALOX15

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-20070122862-A1 Screening for lipolytic enzymes or amidase activity NOVOZYMES A/S (DK) 2007-05-31 — — US disclosed
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