SCHEMBL10382016

SCHEMBL10382016

CC1(C(=O)OC2CCC3OC3C2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.32
CCR2 P41597 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL217734 0.84
SCHEMBL3958198 0.80 PPM1B (0.30)
SCHEMBL679493 0.77
SCHEMBL27660738 0.77 CYP2C19 (0.49) CHRM3CCR2MAPTCYP2C19
SCHEMBL23607775 0.75
SCHEMBL15384219 0.75 CYP2C19 (0.46) CHRM3CCR2MAPTCYP2C19
SCHEMBL3669481 0.74 FFAR3 (0.42) CHRM3MAPTCYP2C19
SCHEMBL4179061 0.73 CHRM2 (0.40) CHRM3MEN1KMT2A
SCHEMBL464840 0.73 CYP2C19 (0.36) CHRM3MAPTCYP2C19
SCHEMBL2914633 0.73 TFPI2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4957960-A FOR ELECTRONIC DEVICES; CURABLE SILICONE RESIN AND AS AN ION SCAVENGER COMPOUND A CALIXARENE OR OXACALIXARENE COMPOUND, A SILACROWN OR POLYALKYLENE ETHER DERIVATIVE LOCTITE (IRELAND) LTD. (IE) 1990-09-18 US disclosed
US-4908399-A Curable epoxy resin, metal ion scavenger comprising calixarene derivatives, silacrowns, polyalkylene ether derivatives LOCTITE (IRELAND) LTD. (IE) 1990-03-13 US disclosed
WO-1988002386-A1 ENCAPSULATING COMPOSITIONS LOCTITE CORPORATION (US) 1988-04-07 WO disclosed
EP-0262910-A2 Encapsulating compositions LOCTITE (IRELAND) Ltd. (IE) 1988-04-06 EP disclosed