SCHEMBL8807965

SCHEMBL8807965

Cc1cc(C)c(NC(=O)N(Cc2ccc(Oc3ccc(Br)cc3)cc2)C2CCCCCC2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
UBE2M P61081 5/20 0.41
DCUN1D1 Q96GG9 5/20 0.41
TP53 P04637 3/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL8807180 0.92 GAA (0.49) GAANPSR1KMT2AMEN1UBE2M
SCHEMBL8809108 0.91 GAA (0.48) GAANPSR1UBE2MDCUN1D1TP53
SCHEMBL8810779 0.90 NPSR1 (0.47) GAANPSR1KMT2AUBE2MDCUN1D1
SCHEMBL8809508 0.90 TP53 (0.50) GAANPSR1KMT2AMEN1UBE2M
SCHEMBL9057173 0.89 TP53 (0.51) GAANPSR1KMT2AMEN1UBE2M
SCHEMBL8807322 0.88 GAA (0.46) GAANPSR1KMT2AMEN1UBE2M
SCHEMBL8810238 0.88 KMT2A (0.41) GAANPSR1KMT2AMEN1UBE2M
SCHEMBL8807262 0.85 HTR2C (0.44) GAANPSR1KMT2AMEN1UBE2M
SCHEMBL8810538 0.85 GAA (0.43) GAANPSR1KMT2AUBE2MDCUN1D1
SCHEMBL9057006 0.85 LMNA (0.49) GAANPSR1UBE2MDCUN1D1TP53

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed