SCHEMBL11337543

SCHEMBL11337543

CC=C(C)C(=O)OSCc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.46
▸ MAPT P10636 7/20 0.41
▸ HPGD P15428 6/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TSHR P16473 2/20 0.40
▸ POLB P06746 6/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ USP2 O75604 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL11337541 1.00 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL1000643 0.83 ALDH1A1 (0.57) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL11342787 0.79 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL11326711 0.77 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL10602301 0.77 ALDH1A1 (0.68) ALDH1A1MAPTRAB9AHSD17B10TSHR
SCHEMBL6871220 0.77 ALDH1A1 (0.68) ALDH1A1MAPTRAB9AHSD17B10TSHR
SCHEMBL11339705 0.77 ALDH1A1 (0.68) ALDH1A1MAPTRAB9AHSD17B10TSHR
SCHEMBL8791885 0.76 ALDH1A1 (0.45) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL11328052 0.75 ALDH1A1 (0.44) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL11337831 0.74 TSHR (0.50) ALDH1A1MAPTHPGDHSD17B10TSHR

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-4303689-A Flavoring with pyrazine derivatives FIRMENICH SA (CH) 1981-12-01 — — US disclosed
Send feedback