SCHEMBL9500810

SCHEMBL9500810

CCCCOC1OC(OCCCC)C(OCCCC)OC1OCCCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
GBA1 P04062 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPP5C P53041 1/20 0.37
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
FGF1 P05230 3/20 0.31
FGF2 P09038 3/20 0.31
VEGFA P15692 3/20 0.31
HPSE Q9Y251 3/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4458651 0.84
SCHEMBL27497301 0.80 MAPK1 (0.38) ADRB2ADRB1ADRB3GBA1SMN1; SMN2
SCHEMBL27497300 0.79 MAPK1 (0.37) ADRB2ADRB1ADRB3GBA1SMN1; SMN2
SCHEMBL27500746 0.79 MAPK1 (0.37) ADRB2ADRB1ADRB3GBA1SMN1; SMN2
SCHEMBL10386539 0.77 SMN1; SMN2 (0.43) ADRB2ADRB1ADRB3GBA1SMN1; SMN2
SCHEMBL4639776 0.77 GBA1 (0.43) GBA1MAPK1TSHRALDH1A1FGF1
SCHEMBL12204689 0.77 MAPK1 (0.34) MAPK1FGF1FGF2VEGFAHPSE
SCHEMBL12019826 0.77 MAPK1 (0.34) MAPK1FGF1FGF2VEGFAHPSE
SCHEMBL19308110 0.75 MAPK1 (0.35) ADRB2ADRB1ADRB3GBA1SMN1; SMN2
SCHEMBL9814204 0.75 GBA1 (0.47) GBA1MAPK1TSHRALDH1A1FGF1

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
EP-0316672-B1 PROCESS FOR THE PREPARATION OF GLYOXAL MONOACETALS BASF Aktiengesellschaft (DE) 1993-06-09 EP disclosed
EP-0316672-A1 Process for the preparation of glyoxal monoacetals BASF Aktiengesellschaft (DE) 1989-05-24 EP disclosed