SCHEMBL8386804

SCHEMBL8386804

CCN(CCCC(N)=O)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
SOAT1 P35610 2/20 0.35
MEN1 O00255 1/20 0.35
FAAH O00519 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
MMP8 P22894 2/20 0.32

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
SCHEMBL8386709 0.89 LMNA (0.39) LMNACA12CA1CA9SOAT1
SCHEMBL8386643 0.85 CA12 (0.40) LMNACA12CA1CA9SOAT1
SCHEMBL15223811 0.84 KDM5A (0.37) LMNACA12CA1CA9SOAT1
SCHEMBL15223831 0.83 LMNA (0.41) LMNACA12CA1CA9CYP1A2
SCHEMBL22113739 0.83 ALDH1A1 (0.46) LMNACA12CA1CA9MEN1
SCHEMBL8386797 0.81 LMNA (0.41) LMNACA12CA1CA9ALDH1A1
SCHEMBL13717326 0.80 CA12 (0.42) LMNACA12CA1CA9CYP1A2
SCHEMBL23169898 0.80 LMNA (0.34) LMNACA12CA1CA9
SCHEMBL498027 0.79 CA12 (0.61) LMNACA12CA1CA9CYP1A2
SCHEMBL8383135 0.79 LMNA (0.50) LMNACA12CA1CA9SOAT1

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-3108886-B1 CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS SYNTARGA BV (NL) 2020-06-17 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed