SCHEMBL9098331

SCHEMBL9098331

COC(=O)[C@@H]1CC(OC)CN1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
FKBP1A P62942 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PREP P48147 2/20 0.45
MITF O75030 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR2C P28335 1/20 0.44
CPB1 P15086 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL3005973 1.00 POLB (0.49) POLBFKBP1ANPSR1PREPMITF
SCHEMBL6665516 1.00 POLB (0.49) POLBFKBP1ANPSR1PREPMITF
SCHEMBL2999647 1.00 POLB (0.49) POLBFKBP1ANPSR1PREPMITF
SCHEMBL15589454 0.94 FKBP1A (0.49) POLBFKBP1ANPSR1PREPNPC1
SCHEMBL19158857 0.94 FKBP1A (0.49) POLBFKBP1ANPSR1PREPNPC1
SCHEMBL13613076 0.92 POLB (0.48) POLBFKBP1ANPSR1PREPMITF
SCHEMBL3541296 0.91 POLB (0.48) POLBFKBP1ANPSR1PREPMITF
SCHEMBL15291850 0.91 POLB (0.50) POLBFKBP1ANPSR1PREPMITF
SCHEMBL3541298 0.91 POLB (0.48) POLBFKBP1ANPSR1PREPMITF
SCHEMBL28718975 0.91 POLB (0.48) POLBFKBP1ANPSR1PREPHTR2C

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
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed