SCHEMBL7788022

SCHEMBL7788022

CCCCCCCCC1(CCCCCCCC)CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.54
ESR2 Q92731 2/20 0.45
EBP Q15125 1/20 0.43
KDM1A O60341 2/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.38
MAOB P27338 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL7782520 1.00 SIGMAR1 (0.54) SIGMAR1ESR2EBPKDM1AALDH1A1
SCHEMBL7788011 1.00 SIGMAR1 (0.54) SIGMAR1ESR2EBPKDM1AALDH1A1
SCHEMBL7782450 0.98 SIGMAR1 (0.51) SIGMAR1ESR2EBPKDM1AALDH1A1
SCHEMBL7788015 0.93 SIGMAR1 (0.51) SIGMAR1ESR2EBPKDM1ALMNA
SCHEMBL28548755 0.90 SIGMAR1 (0.56) SIGMAR1EBPKDM1ACYP1A2CYP2C19
SCHEMBL28549243 0.90 SIGMAR1 (0.56) SIGMAR1EBPKDM1ACYP1A2CYP2C19
SCHEMBL28543963 0.90 SIGMAR1 (0.56) SIGMAR1EBPKDM1ACYP1A2CYP2C19
SCHEMBL11198839 0.90 SIGMAR1 (0.56) SIGMAR1EBPKDM1ACYP1A2CYP2C19
SCHEMBL7782464 0.86 ESR2 (0.48) SIGMAR1ESR2EBPKDM1ALMNA
SCHEMBL11874561 0.85 SIGMAR1 (0.44) SIGMAR1ESR2EBPKDM1ALMNA

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-20010029286-A1 Procatalysts, catalyst systems, and use in OLEFIN polymerization EASTMAN CHEMICAL COMPANY, A CORP. OF DELAWARE 2001-10-11 US disclosed
US-20010025005-A1 Procatalysts, catalyst systems, and use in olefin polymerization EASTMAN CHEMICAL COMPANY, A CORPORATION OF DELAWARE 2001-09-27 US disclosed
WO-2001051527-A1 PROCATALYSTS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051529-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed