SCHEMBL3145652

SCHEMBL3145652

CC1=Cc2cc(C(C)C)cc(-c3cccc4ccccc34)c2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
CRHR1 P34998 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALOX5 P09917 1/20 0.33
PTPN1 P18031 1/20 0.33
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL2970981 0.81 KDM4E (0.34) MAOAMAOBPTPN1HTR1AHTR7
SCHEMBL5600889 0.81 MAOA (0.36) CRHR1MAPTMAOAMAOBHTR1A
SCHEMBL29776182 0.80 HTR7 (0.40) NPC1MAPTRAB9ASMN1; SMN2MAOA
SCHEMBL3155099 0.80 HTR7 (0.40) NPC1MAPTRAB9ASMN1; SMN2MAOA
SCHEMBL3159359 0.79 METAP2 (0.40) AKR1C3AKR1C2MAPTCYP1A2CYP2C19
SCHEMBL3145664 0.73
SCHEMBL14380203 0.73 BIRC5 (0.35) PTPN1KDM4EBRD4
SCHEMBL2962487 0.72 CNR1 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL2970307 0.71 HTR7 (0.34) AKR1C3AKR1C2SMN1; SMN2MAOAMAOB
SCHEMBL3156085 0.71 ALDH1A1 (0.41) MAPTMAOAMAOBHTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270614-B1 Copolymers containing propylene and alpha-olefin comonomer BASELL POLYOLEFINE GMBH (DE) 2010-01-27 EP disclosed
US-6787618-B1 TRANSPARENT, STIFF MOLDING MATERIALS; IMPACT TOUGHNESS; FOOD PACKAGING BASELL POLYPROPYLEN GMBH (DE) 2004-09-07 US disclosed
EP-0776913-B1 High molecular weight copolymers BASELL POLYOLEFINE GMBH (DE) 2004-02-04 EP disclosed
EP-1270614-A2 Copolymers containing propylene and alpha-olefin comonomer Basell Polyolefine GmbH (DE) 2003-01-02 EP disclosed
US-6057408-A CATALYTIC ADDITION COPOLYMERIZATION OF PROPYLENE WITH ETHYLENE OR OLEFIN TARGOR GMBH (DE) 2000-05-02 US disclosed
EP-0776913-A2 High molecular weight copolymers HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-04 EP disclosed