SCHEMBL8992020

SCHEMBL8992020

C/C=C(/c1ccccc1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
MAPT P10636 1/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL8992021 1.00 PHGDH (0.51) PHGDHHPGDTSHRSMN1; SMN2GAA
SCHEMBL10420577 1.00 PHGDH (0.51) PHGDHHPGDTSHRSMN1; SMN2GAA
SCHEMBL10419001 0.84 RAB9A (0.53) PHGDHHPGDTSHRSMN1; SMN2GAA
SCHEMBL8884084 0.84 RAB9A (0.53) PHGDHHPGDTSHRSMN1; SMN2GAA
SCHEMBL24528362 0.83 TSHR (0.46) PHGDHHPGDTSHRSMN1; SMN2GAA
SCHEMBL11482047 0.82 HPGD (0.52) HPGDGAAFAAHCYP2C9ALDH1A1
SCHEMBL11482052 0.82 HPGD (0.52) HPGDGAAFAAHCYP2C9ALDH1A1
SCHEMBL11475019 0.81 HPGD (0.55) HPGDGAAFAAHCYP2C9ALDH1A1
SCHEMBL8884271 0.80 PHGDH (0.44) PHGDHHPGDTSHRSMN1; SMN2GAA
SCHEMBL14144562 0.80 RAB9A (0.56) HPGDSMN1; SMN2GAAMAPTALDH1A1

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-5496943-A USING UNSATURATED ACYLISOCYANATE COMPOUNDS TO FORM OXAZOLINES, PYRANS WITH AMINOCARBONYLHETERO SUBSTITUTION AND GLUTARIMIDE DERIVATIVES AS CHEMICAL INTERMEDIATES NIPPON PAINT CO., LTD. (JP) 1996-03-05 US disclosed
EP-0503958-A2 Heterocyclic compounds and their production Nippon Paint Co., Ltd. (JP) 1992-09-16 EP disclosed
US-4602088-A RHODIUM CARBONYL-PHOSPHINE CATALYST TEXACO INC. (US) 1986-07-22 US disclosed