SCHEMBL8673753

SCHEMBL8673753

CC(=O)Oc1c(C)n(C(=O)OC(C)(C)C)c2ccc(O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
HPGD P15428 4/20 0.39
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
ESR2 Q92731 1/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP3A4 P08684 2/20 0.38
PKM P14618 2/20 0.38
ALOX15 P16050 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL8668045 0.85 POLB (0.46) HTTLMNAPOLBHIF1ANPSR1
SCHEMBL17448265 0.83 HTR6 (0.47) HTR6HPGDHTTSMN1; SMN2LMNA
SCHEMBL27905740 0.78 CNR2 (0.41) HPGDHTTSMN1; SMN2LMNAPOLB
SCHEMBL8673748 0.77 PTGS1 (0.60) HTR6LMNAHIF1ANPSR1MAPT
SCHEMBL5558582 0.76 PTGS2 (0.47) HPGDHTTSMN1; SMN2LMNAPOLB
SCHEMBL27985045 0.75 CHRM2 (0.50) HTR6HPGDHTTSMN1; SMN2LMNA
SCHEMBL27790010 0.75 GAA (0.47) HPGDHTTSMN1; SMN2LMNAPOLB
SCHEMBL5799040 0.74 PTGS2 (0.46) HPGDHTTSMN1; SMN2LMNAPOLB
SCHEMBL6025591 0.74 PTGS2 (0.48) HPGDHTTSMN1; SMN2LMNAHIF1A
SCHEMBL5553721 0.74 AKR1C3 (0.44) HPGDHTTSMN1; SMN2LMNAESR2

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-5750558-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed