SCHEMBL4530091

SCHEMBL4530091

CCC1(C2=CCCCC2)C(=O)NC(=O)N(N2C(=O)NC(=O)C(CC)(C3=CCCCC3)C2=O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11929663 0.86 KMT2A (0.62) KMT2AMEN1LMNACYP2C19HCAR2
SCHEMBL18388562 0.85 KMT2A (0.47) KMT2AMEN1LMNACYP2C19HCAR2
SCHEMBL10281101 0.82 MEN1 (0.45) KMT2AMEN1LMNACYP2C19ALDH1A1
Cyclobarbital SCHEMBL157224 0.81 MEN1 (0.44) KMT2AMEN1LMNAHCAR2ALDH1A1
Cyclobarbital SCHEMBL1256543 0.80 MEN1 (0.43) KMT2AMEN1LMNAHCAR2ALDH1A1
Heptabarbital SCHEMBL713359 0.80 MEN1 (0.43) KMT2AMEN1LMNAHCAR2ALDH1A1
Cyclobarbital SCHEMBL7698655 0.79 MEN1 (0.42) KMT2AMEN1LMNAHCAR2TSHR
Mephobarbital SCHEMBL4261724 0.73 LMNA (0.65) KMT2AMEN1LMNACYP2C19TSHR
Heptabarbital SCHEMBL1649324 0.73 MEN1 (0.38) KMT2AMEN1HCAR2
Cyclobarbital SCHEMBL5458050 0.71 HCAR2 (0.40) KMT2AMEN1LMNAHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557175-B2 Poly(carbonate-co-urea) copolymers and melt transesterification method of preparing these copolymers SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-07-07 US disclosed
WO-2008136842-A1 POLY( CARBONATE-CO-UREA) COPOLYMERS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-11-13 WO disclosed
WO-2008136841-A1 POLY(CARBONATE-CO-UREA) COPOLYMERS AND MELT TRANSESTERIFICATION METHOD OF PREPARING THESE COPOLYMERS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-11-13 WO disclosed