SCHEMBL3874874

SCHEMBL3874874

C1=C(CCCC2=CCc3ccccc32)c2ccccc2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.53
SIGMAR1 Q99720 1/20 0.41
HTR7 P34969 1/20 0.38
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CES1 P23141 2/20 0.32
MAOA P21397 2/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDPK1 O15530 1/20 0.31
PARP1 P09874 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
NQO2 P16083 1/20 0.31

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
SCHEMBL3868123 0.96 HTR6 (0.53) HTR6SIGMAR1HTR7CES1MAOA
SCHEMBL2338975 0.91 HTR6 (0.56) HTR6SIGMAR1HTR7CA12CA9
SCHEMBL31121639 0.91 HTR6 (0.56) HTR6SIGMAR1HTR7CA12CA9
SCHEMBL11545776 0.88 HTR6 (0.47) HTR6SIGMAR1HTR7
SCHEMBL16340383 0.88 HTR6 (0.47) HTR6SIGMAR1HTR7ALDH1A1MAPT
SCHEMBL29663816 0.88 HTR6 (0.47) HTR6SIGMAR1HTR7ALDH1A1
SCHEMBL11623964 0.88 HTR6 (0.47) HTR6SIGMAR1HTR7KDM4ELMNA
SCHEMBL20430497 0.88 HTR6 (0.47) HTR6SIGMAR1HTR7ALDH1A1
SCHEMBL6683873 0.88 HTR6 (0.51) HTR6SIGMAR1HTR7MAOA
SCHEMBL6666869 0.87 HTR6 (0.50) HTR6SIGMAR1HTR7MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706437-B1 DUAL METALLOCENE CATALYST FOR PRODUCING FILM RESINS WITH GOOD MACHINE DIRECTION (MD) ELMENDORF TEAR STRENGTH CHEVRON PHILLIPS CHEMICAL CO (US) 2016-01-20 EP disclosed
US-7572875-B2 Ethylene homopolymers or copolymers having good machine direction (MD) elmendorf tear strength CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2009-08-11 US disclosed
US-20060229420-A1 Ethylene homopolymers or copolymers having good machine direction (MD) elmendorf tear strength CHEVRON PHILLIPS CHEMICAL COMPANY, LP 2006-10-12 US disclosed
US-7119153-B2 Dual metallocene catalyst for producing film resins with good machine direction (MD) elmendorf tear strength CHEVRON PHILLIPS CHEMICAL COMPANY LP 2006-10-10 US disclosed
EP-1706437-A1 DUAL METALLOCENE CATALYST FOR PRODUCING FILM RESINS WITH GOOD MACHINE DIRECTION (MD) ELMENDORF TEAR STRENGTH Chevron Phillips Chemical Company LP (US) 2006-10-04 EP disclosed
WO-2005070977-A1 DUAL METALLOCENE CATALYST FOR PRODUCING FILM RESINS WITH GOOD MACHINE DIRECTION (MD) ELMENDORF TEAR STRENGTH CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2005-08-04 WO disclosed
US-20050159300-A1 Dual metallocene catalyst for producing film resins with good machine direction (MD) elmendorf tear strength CHEVRON PHILLIPS CHEMICAL COMPANY LP 2005-07-21 US disclosed