SCHEMBL18871525

SCHEMBL18871525

O=C1CCCC(=O)C1=CN=Nc1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.36
▸ GLB1 P16278 1/20 0.36
▸ CTRB1 P17538 1/20 0.36
▸ CTRC Q99895 1/20 0.36
▸ MAPT P10636 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 3/20 0.34
▸ THRB P10828 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A1 P04798 2/20 0.33
▸ CYP1B1 Q16678 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL18871134 0.83 ALDH1A1 (0.41) MAPTALDH1A1POLBTHRBL3MBTL1
SCHEMBL13640162 0.67 ALDH1A1 (0.47) MAPTALDH1A1POLBTHRBL3MBTL1
SCHEMBL18871441 0.64 ALDH1A1 (0.50) ATMMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL11809149 0.63 GLB1 (0.74) GLB1CTRB1CTRCMAPTALDH1A1
SCHEMBL11691780 0.63 GLB1 (0.74) GLB1CTRB1CTRCMAPTALDH1A1
SCHEMBL11691771 0.63 GLB1 (0.74) GLB1CTRB1CTRCMAPTALDH1A1
SCHEMBL15893569 0.63 CYP2D6 (0.36) ATMGLB1CTRB1CTRCMAPT
SCHEMBL809546 0.61 AKR1C3 (0.68) MAPTALDH1A1GAAHPGDHTT
SCHEMBL625119 0.61 AKR1C3 (0.68) MAPTALDH1A1GAAHPGDHTT
SCHEMBL1524863 0.61 AKR1C3 (0.68) MAPTALDH1A1GAAHPGDHTT

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
EP-2477491-B1 PLANT ADDITIVES AND USES THEREOF TO MODULATE THE SYNTHESIS OF MEMBRANE GLYCEROLIPIDS IN PLANTS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-05-17 — — EP disclosed
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