SCHEMBL10382015

SCHEMBL10382015

COC(=O)C1(C2CCC3OC3C2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CYP3A4 P08684 3/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SCN1A P35498 1/20 0.36

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
SCHEMBL217733 0.84 PPM1B (0.34) PPM1BPTPN1PPP1CC
SCHEMBL11600880 0.78 ALDH1A1 (0.33) MAPTNPSR1PPM1BPTPN1PPP1CC
SCHEMBL11858353 0.77 CYP3A4 (0.54) MAPTCYP3A4ABCB11LMNACYP1A2
SCHEMBL28443625 0.74 CYP3A4 (0.40) MAPTCYP3A4ABCB11LMNACYP1A2
SCHEMBL28443626 0.74 CYP3A4 (0.40) MAPTCYP3A4ABCB11LMNACYP1A2
SCHEMBL20103712 0.73 CYP3A4 (0.50) MAPTCYP3A4ABCB11LMNACYP1A2
SCHEMBL20054732 0.73 CYP3A4 (0.50) MAPTCYP3A4ABCB11LMNACYP1A2
SCHEMBL27759738 0.73 MAPT (0.36) MAPTCYP3A4ABCB11LMNACYP1A2
SCHEMBL1709532 0.73 CYP3A4 (0.45) MAPTCYP3A4ABCB11LMNACYP1A2
SCHEMBL3669479 0.72 NPSR1 (0.39) MAPTCYP3A4ABCB11LMNACYP1A2

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