SCHEMBL19419081

SCHEMBL19419081

CC1C2OC3(C)OC1C(OCc1ccccc1)C(O3)C2C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.40
MTOR P42345 1/20 0.40
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
IDO1 P14902 1/20 0.35
GSTP1 P09211 2/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TACR1 P25103 2/20 0.33

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
SCHEMBL19419142 0.83 PDPK1 (0.42) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL19419108 0.79 OPRM1 (0.36) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL19419089 0.78 PDPK1 (0.41) PDPK1MTORMAPTCYP2C19IDO1
SCHEMBL19423119 0.76 SLC6A2 (0.38) PDPK1MTORMAPTCYP2C19IDO1
SCHEMBL14094693 0.76 GSTP1 (0.51) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL5017349 0.76 GSTP1 (0.51) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL13996381 0.76 PDPK1 (0.46) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL3856170 0.76 PDPK1 (0.46) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL3856126 0.74 PDPK1 (0.42) PDPK1MTORMAPTCYP2C19OPRM1
SCHEMBL17827490 0.74 PDPK1 (0.42) PDPK1MTORMAPTCYP2C19OPRM1

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-20170283550-A1 POLYCARBONATE RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 2017-10-05 US disclosed