SCHEMBL20530488

SCHEMBL20530488

O=C(OCc1ccccc1)N1CC[C@@H](O)C[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
F2 P00734 2/20 0.47
ELANE P08246 2/20 0.47
CTSG P08311 1/20 0.47
PREP P48147 2/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47

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
SCHEMBL30251765 0.88 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3240363 0.86 HTR2C (0.53) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL29936364 0.86 HTR2C (0.53) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13507486 0.86 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19NPSR1
SCHEMBL29936064 0.86 HTR2C (0.53) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL24179626 0.86 HTR2C (0.53) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL384788 0.86 HTR2C (0.53) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3167480 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5761224 0.85 PREP (0.50) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL1694385 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165640-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS SUSTAINABLE MOMENTUM, S.L. (ES) 2020-05-28 US disclosed
CN-110945122-A Fructose-6-phosphate aldolase variants for aldol condensation carbon linking 西班牙高等科研理事会 2020-03-31 CN disclosed
EP-3388518-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2018-10-17 EP disclosed