SCHEMBL10608901

SCHEMBL10608901

Cc1cc(COC2CCCC2)cc(C(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GSR P00390 1/20 0.37
MAPT P10636 1/20 0.35
DRD4 P21917 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LNPEP Q9UIQ6 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GRM5 P41594 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL25066945 0.78 GRM5 (0.34) MEN1KMT2AGRM5
SCHEMBL10612742 0.77 GRM5 (0.35) MEN1KMT2AGSRLNPEPGRM5
SCHEMBL28657835 0.77 GSR (0.44) MEN1KMT2AGSRMAPTCA1
SCHEMBL11658801 0.76 CYP2D6 (0.51) MEN1KMT2AHTTTDP1CYP1A2
SCHEMBL20698935 0.75 THRA (0.40) MEN1KMT2ALNPEP
SCHEMBL25139028 0.74 GRM5 (0.31) LNPEPGRM5
SCHEMBL23319862 0.74 SCN9A (0.38) MEN1KMT2ALNPEPGRM5
SCHEMBL14494186 0.73 ALDH1A1 (0.39) MEN1KMT2AGSRMAPTLNPEP
SCHEMBL25139050 0.72 SCN9A (0.30) GRM5
SCHEMBL11065417 0.72 ALOX5 (0.41) MEN1KMT2AMAPTHTTTDP1

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-4754077-A HINDERED PHENOLS, METHANOL, FORMALDEHYDE, PHENOL COMPOUND, MANNICH BASE CATALYST ETHYL CORPORATION (US) 1988-06-28 US disclosed
EP-0116712-B1 SYNTHESIS OF HINDERED PHENOLS ETHYL CORPORATION (US) 1987-03-25 EP disclosed
EP-0116712-A1 Synthesis of hindered phenols ETHYL CORPORATION (US) 1984-08-29 EP disclosed
WO-1984002336-A1 ANTIOXIDANT SYNTHESIS ETHYL CORP (US) 1984-06-21 WO disclosed