SCHEMBL11095337

SCHEMBL11095337

CCOC(=O)CCCCCCC(NC(CCO)c1cccs1)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 4/20 0.35
NAMPT P43490 1/20 0.35
ACE P12821 2/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
FAAH O00519 2/20 0.33

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
SCHEMBL11095339 0.79 KMT2A (0.41) KMT2ACYP4F2CYP4A11POLBL3MBTL1
SCHEMBL11092658 0.74 LMNA (0.47) KMT2APOLBALDH1A1
SCHEMBL9311254 0.72 CYP4F2 (0.40) CYP4F2CYP4A11POLBL3MBTL1ALDH1A1
SCHEMBL11088974 0.71 CYP3A4 (0.42) KMT2ACYP4F2CYP4A11POLBALDH1A1
SCHEMBL2515076 0.69 NPC1 (0.42) KMT2ACYP4F2CYP4A11L3MBTL1ALDH1A1
SCHEMBL9310488 0.69 CYP4F2 (0.38) KMT2ACYP4F2CYP4A11POLBL3MBTL1
SCHEMBL11086582 0.68 KMT2A (0.54) KMT2ACYP4F2CYP4A11POLBL3MBTL1
SCHEMBL9567286 0.67 HDAC1 (0.40) POLBL3MBTL1ALDH1A1TSHR
SCHEMBL3382084 0.67 HPGD (0.63) KMT2APOLBL3MBTL1ALDH1A1TSHR
SCHEMBL11786130 0.67 SMN1; SMN2 (0.64) KMT2ACYP4F2CYP4A11POLBL3MBTL1

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
US-4486443-A PROSTAGLANDIN-LIKE EFFECTS BURROUGHS WELLCOME CO. (US) 1984-12-04 US disclosed