SCHEMBL1012809

SCHEMBL1012809

CCOC(=O)C1C(=O)C[C@@H]2CC[C@H]1N2C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 0.49
HTR2C P28335 1/20 0.46
ELANE P08246 1/20 0.42
HPGD P15428 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPEPPS P55786 1/20 0.40
F2 P00734 1/20 0.40
KCNH2 Q12809 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
SCHEMBL7243880 0.88 AGTR2 (0.53) AGTR2HTR2CPSEN1PSEN2APH1B
SCHEMBL1012557 0.86 HTR2C (0.51) AGTR2HTR2CELANEHPGDPSEN1
SCHEMBL1012738 0.82 ALDH1A1 (0.46) MEN1KMT2ANPEPPSKCNH2
SCHEMBL17061337 0.81 AGTR2 (0.52) AGTR2HTR2CPSEN1PSEN2APH1B
SCHEMBL1010265 0.78 FKBP1A (0.46) AGTR2ELANEHPGDF2KCNH2
SCHEMBL7652421 0.77 SMN1; SMN2 (0.55) AGTR2HTR2CPSEN1PSEN2APH1B
SCHEMBL18410317 0.76 HTR2C (0.56) HTR2CNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL20296331 0.76 HTR2C (0.56) HTR2CNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8260516 0.76 HTR2C (0.50) AGTR2HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL154134 0.76 HTR2C (0.55) AGTR2HTR2CPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1118674-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE NIHON MEDIPHYSICS CO LTD (JP) 2011-01-05 EP disclosed