SCHEMBL8526583

SCHEMBL8526583

CCCCCCCCCCCC[C](C)CCCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.57
MAPT P10636 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
CETP P11597 1/20 0.54
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL9524030 0.93 CETP (0.54) KCNH2MAPTRXFP1CETPALDH1A1
SCHEMBL9129686 0.91 HPGD (0.54) KCNH2CETPALDH1A1EPHX2SIGMAR1
Hydrogen Peroxide SCHEMBL15515419 0.88 KCNH2 (0.69) KCNH2CETPESR1ADRA2AADORA3
Methyl Alcohol SCHEMBL27931711 0.86 KCNH2 (0.67) KCNH2CETPESR1ADRA2AADORA3
Methyl Alcohol SCHEMBL28457868 0.86 KCNH2 (0.67) KCNH2CETPESR1ADRA2AADORA3
Methyl Alcohol SCHEMBL27651723 0.86 KCNH2 (0.67) KCNH2CETPESR1ADRA2AADORA3
Methyl Alcohol SCHEMBL28457600 0.86 KCNH2 (0.67) KCNH2CETPESR1ADRA2AADORA3
Methyl Alcohol SCHEMBL28454434 0.86 KCNH2 (0.67) KCNH2CETPESR1ADRA2AADORA3
SCHEMBL7204684 0.86 KCNH2 (0.71) KCNH2CETPESR1ADRA2AADORA3
SCHEMBL210629 0.86 KCNH2 (0.71) KCNH2CETPESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885207-A1 PROCESS FOR PRODUCING EPOXIDES FROM OLEFINES WITH BIS(TRIORGANOSILYL) PEROXIDES IN THE PRESENCE OF METAL-ACID-DERIVATIVES-BASED ACTIVATORS BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
WO-1997032867-A1 PROCESS FOR PRODUCING EPOXIDES FROM OLEFINES WITH BIS(TRIORGANOSILYL) PEROXIDES IN THE PRESENCE OF METAL-ACID-DERIVATIVES-BASED ACTIVATORS BASF AKTIENGESELLSCHAFT (DE) 1997-09-12 WO disclosed