SCHEMBL6231375

SCHEMBL6231375

CCC1=C(C2CCCCC2C2=C(CC)[CH]c3cccc(-c4ccc(C(C)(C)C)cc4)c32)c2c(cccc2-c2ccc(C(C)(C)C)cc2)[CH]1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
CHRM3 P20309 1/20 0.31
PTAFR P25105 1/20 0.31
SLC6A2 P23975 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
SCHEMBL6232636 0.89 BRD4 (0.30) BRD4CREBBP
SCHEMBL5689802 0.78 TSHR (0.35) BRD4CREBBPPTAFR
SCHEMBL5689679 0.78 PTAFR (0.32) BRD4CREBBPPTAFR
SCHEMBL6876306 0.77 NR1H4 (0.32) BRD4CREBBPPTAFR
SCHEMBL7106420 0.75 NPC1 (0.38) PTAFR
SCHEMBL15668689 0.74 PTAFR (0.34) BRD4CREBBPCHRM3PTAFR
SCHEMBL6232128 0.72 PTAFR (0.33) CHRM3PTAFR
SCHEMBL5688730 0.71 PTAFR (0.31) BRD4CREBBPPTAFR
SCHEMBL5691597 0.70 TSHR (0.35) BRD4CREBBPPTAFR
SCHEMBL253624 0.69 BRD4 (0.33) BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313747-B1 METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2005-04-20 EP disclosed