SCHEMBL9299063

SCHEMBL9299063

C=C(C(=O)OC)c1ccc(C(C)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ HPGD P15428 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.44
▸ STS P08842 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B1 P14061 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ CA12 O43570 1/20 0.39

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
SCHEMBL5057415 0.91 ALDH1A1 (0.46) MAPTALDH1A1CA12CA1CA2
SCHEMBL27468651 0.83 CA1 (0.57) MAPTHPGDALDH1A1LMNAHSD17B1
SCHEMBL9300725 0.83 TDP1 (0.57) MAPTHPGDRAB9AALDH1A1KMT2A
Butane SCHEMBL7720074 0.83 TDP1 (0.41) MAPTHPGDALDH1A1CA12CA1
SCHEMBL4910303 0.83 CA1 (0.57) MAPTRAB9AALDH1A1STSL3MBTL1
SCHEMBL21679928 0.82 MAPT (0.54) MAPTHPGDRAB9AALDH1A1STS
SCHEMBL4910445 0.82 CA1 (0.59) MAPTRAB9ASMN1; SMN2NPC1CA1
SCHEMBL2576355 0.82 RAB9A (0.47) MAPTHPGDRAB9AALDH1A1KMT2A
SCHEMBL20013249 0.82 LMNA (0.44) MAPTHPGDRAB9AALDH1A1KMT2A
SCHEMBL191087 0.82 HPGD (0.48) MAPTHPGDRAB9AALDH1A1L3MBTL1

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-5352820-A Expedient route to aryl propenoic esters AMERICAN CYANAMID COMPANY 1994-10-04 — — US claimed
US-5352820-A Expedient route to aryl propenoic esters AMERICAN CYANAMID COMPANY 1994-10-04 — — US disclosed
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