SCHEMBL9048705

SCHEMBL9048705

CCOC(=O)C(=COC)C(C)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.67
NPSR1 Q6W5P4 4/20 0.50
ALDH1A1 P00352 7/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 5/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 9/20 0.40
PLIN1 O60240 1/20 0.40
POLB P06746 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL28285733 1.00 GLO1 (0.67) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL9048698 1.00 GLO1 (0.67) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL214459 0.89 NPSR1 (0.56) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11656177 0.84 GLO1 (0.47) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11656175 0.84 GLO1 (0.47) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL23394794 0.83 NPSR1 (0.50) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL296438 0.83 NPSR1 (0.50) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL4197379 0.83 GLO1 (0.67) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1186674 0.83 GLO1 (0.67) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1186672 0.83 GLO1 (0.67) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110615765-B (1H-pyrazole-4-formamido) ethyl benzoate compound and preparation method and application thereof 浙江工业大学 2021-06-25 CN claimed
CN-110615765-A (1H-pyrazole-4-formamido) ethyl benzoate compound and preparation method and application thereof 浙江工业大学 2019-12-27 CN claimed
CN-110615765-B (1H-pyrazole-4-formamido) ethyl benzoate compound and preparation method and application thereof 浙江工业大学 2021-06-25 CN disclosed
CN-110615765-A (1H-pyrazole-4-formamido) ethyl benzoate compound and preparation method and application thereof 浙江工业大学 2019-12-27 CN disclosed
WO-2018154466-A1 DIHYDROQUINOLIZINONES AS ANTIVIRALS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-30 WO disclosed
CN-1037513-C Pyrimidine compound and preparation method of medicinal salt thereof MITSUI PETROCHEMICAL IND (JP) 1998-02-25 CN disclosed
EP-0379806-B1 Pyrimidines and their pharmaceutical acceptable salts, and their use as medicines MITSUI PETROCHEMICAL IND (JP) 1996-04-10 EP disclosed
EP-0612746-A1 Pyrimidines and their pharmaceutical acceptable salts and their use as medicines MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-08-31 EP disclosed
US-5264435-A Treatment of neurological diseases MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-11-23 US disclosed
US-5147876-A Nervous system disorders MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-09-15 US disclosed
EP-0379806-A2 Pyrimidines and their pharmaceutical acceptable salts, and their use as medicines MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-08-01 EP disclosed
US-4104049-A Chlorine-substituted vinylaminobenzoic acid compounds and plant growth regulant compositions BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed