SCHEMBL7630768

SCHEMBL7630768

CCCC(C)c1cccc(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC2 Q92769 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MDM4 O15151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
TYR P14679 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CA5A P35218 1/20 0.41
HTT P42858 1/20 0.41
MDM2 Q00987 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL27494967 0.94 HDAC4 (0.44) HDAC4HDAC8HDAC2KDM4ESMN1; SMN2
SCHEMBL24362693 0.89 HDAC4 (0.45) HDAC4HDAC8HDAC2KDM4ESMN1; SMN2
SCHEMBL9658652 0.83 HDAC4 (0.41) HDAC4HDAC8HDAC2KDM4ESMN1; SMN2
SCHEMBL7778471 0.83 HDAC4 (0.56) HDAC4HDAC8HDAC2KDM4ESMN1; SMN2
SCHEMBL1654299 0.82 TRPA1 (0.47) HDAC4HDAC8HDAC2KDM4ESMN1; SMN2
SCHEMBL6374643 0.82 TAS1R3 (0.42) HDAC4HDAC8HDAC2CA2TP53
SCHEMBL28099989 0.81 HDAC4 (0.42) HDAC4HDAC8HDAC2KDM4EALDH1A1
SCHEMBL18923583 0.80 OPRM1 (0.44) HDAC4HDAC8HDAC2ALDH1A1HPGD
SCHEMBL14607991 0.80 AOC3 (0.41) HDAC4HDAC8HDAC2
SCHEMBL21726124 0.80 PARP1 (0.42) HDAC4HDAC8HDAC2SMN1; SMN2ALDH1A1

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-1250365-A2 TRANSITION METAL COMPOUND, LIGAND SYSTEM, CATALYST SYSTEM AND THE USE OF THE LATTER FOR THE POLYMERISATION AND COPOLYMERISATION OF OLEFINS Basell Polypropylen GmbH (DE) 2002-10-23 EP disclosed
WO-2001048034-A2 TRANSITION METAL COMPOUND, LIGAND SYSTEM, CATALYST SYSTEM AND THE USE OF THE LATTER FOR THE POLYMERISATION AND COPOLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-07-05 WO disclosed