SCHEMBL9145121

SCHEMBL9145121

CC=C1OC(=O)c2c(O)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
MAPT P10636 9/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
MAPK1 P28482 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
ALOX15 P16050 3/20 0.46
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 6/20 0.43
RECQL P46063 5/20 0.43
CYP3A4 P08684 4/20 0.43

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
SCHEMBL9145106 1.00 MAOA (0.47) MAOAMAPTALDH1A1HPGDMAPK1
SCHEMBL29466168 0.79 TRPA1 (0.62) MAOAMAPTALDH1A1HPGDMAPK1
SCHEMBL3751327 0.79 TRPA1 (0.62) MAOAMAPTALDH1A1HPGDMAPK1
SCHEMBL3751329 0.79 TRPA1 (0.62) MAOAMAPTALDH1A1HPGDMAPK1
SCHEMBL11967649 0.79 TRPA1 (0.62) MAOAMAPTALDH1A1HPGDMAPK1
SCHEMBL29568960 0.77 MAOA (0.58) MAOAMAPTALDH1A1HPGDMAPK1
SCHEMBL382951 0.77 MAOA (0.58) MAOAMAPTALDH1A1HPGDMAPK1
SCHEMBL9139505 0.76 ALDH1A1 (0.63) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL9139498 0.76 ALDH1A1 (0.63) MAPTALDH1A1HPGDTDP1SMN1; SMN2
Thunberginol F SCHEMBL29906165 0.74 KMT2A (0.61) MAOAMAPTALDH1A1HPGDMAPK1

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
US-5428002-A Herbicides CIBA-GEIGY CORPORATION (US) 1995-06-27 US disclosed
US-5332717-A Herbicides, plant growth regulators CIBA-GEIGY CORPORATION (US) 1994-07-26 US disclosed