SCHEMBL7067620

SCHEMBL7067620

CCCC1C=Cc2cccc(-c3ccc(C(C)(C)C)cc3)c21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KIF11 P52732 1/20 0.32
PTAFR P25105 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL27199723 0.66 TSHR (0.37) BRD4CREBBPKIF11PTAFRSMN1; SMN2
SCHEMBL5690313 0.66 BRD4 (0.38) BRD4CREBBPKIF11PTAFRSMN1; SMN2
SCHEMBL8464420 0.66 ADRB2 (0.36) KDM4EHTTLMNATP53RAB9A
SCHEMBL5086245 0.65 PTAFR (0.34) BRD4CREBBPKIF11PTAFRSMN1; SMN2
SCHEMBL5953635 0.65 SIGMAR1 (0.33) HTTLMNA
Hydrochloric Acid SCHEMBL5697214 0.65 KIF11 (0.37) BRD4CREBBPKIF11PTAFRSMN1; SMN2
SCHEMBL6231893 0.64 PTAFR (0.37) BRD4CREBBPKIF11PTAFRSMN1; SMN2
SCHEMBL24522126 0.63 TSHR (0.48) BRD4CREBBPKIF11SMN1; SMN2KDM4E
SCHEMBL25710543 0.63 KIF11 (0.45) BRD4CREBBPKIF11SMN1; SMN2KDM4E
SCHEMBL6012037 0.63 TSHR (0.36) BRD4CREBBPKIF11PTAFRSMN1; SMN2

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-1313747-A1 METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS Basell Polypropylen GmbH (DE) 2003-05-28 EP disclosed
WO-2002018397-A1 METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS BASELL POLYPROPYLEN GMBH (DE) 2002-03-07 WO disclosed