SCHEMBL8536152

SCHEMBL8536152

CCOC(=O)C1(C(=O)OCC)CCC(OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.47
OPRL1 P41146 2/20 0.47
DPP4 P27487 1/20 0.44
EPHX2 P34913 1/20 0.44
ADAM17 P78536 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HDAC4 P56524 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 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
SCHEMBL871442 0.89 ADAM17 (0.46) OPRM1OPRL1EPHX2ADAM17KDM4E
SCHEMBL8053435 0.87 ADAM17 (0.45) OPRM1OPRL1EPHX2ADAM17KDM4E
Hydrochloric Acid SCHEMBL8049068 0.86 ADAM17 (0.44) OPRM1OPRL1EPHX2ADAM17LMNA
SCHEMBL8049066 0.85 EPHX2 (0.44) OPRM1OPRL1EPHX2ADAM17LMNA
SCHEMBL8050802 0.85 ADAM17 (0.43) OPRM1OPRL1DPP4EPHX2ADAM17
SCHEMBL27377447 0.83 OPRM1 (0.51) OPRM1OPRL1DPP4EPHX2ADAM17
SCHEMBL27377484 0.83 OPRM1 (0.51) OPRM1OPRL1DPP4EPHX2ADAM17
SCHEMBL8586277 0.81 DPP4 (0.51) OPRM1OPRL1DPP4EPHX2ADAM17
SCHEMBL15927866 0.80 ADAM17 (0.46) OPRM1OPRL1EPHX2ADAM17KDM4E
SCHEMBL14661822 0.79 OPRM1 (0.47) OPRM1OPRL1DPP4EPHX2ADAM17

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-5817776-A TECHNETIUM 99 COMPLEXES, SINGLE PHOTON EMISSION TOMOGRAPHY EMORY UNIVERSITY (US) 1998-10-06 US disclosed
US-5808146-A Amino acid analogs for tumor imaging EMORY UNIVERSITY (US) 1998-09-15 US disclosed
WO-1997017092-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1997-05-15 WO disclosed