SCHEMBL11823637

SCHEMBL11823637

CC1(C)NC(C)(C)N(CC(=O)NCCNC(=O)CN2C(=O)C(C)(C)NC2(C)C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
FPR2 P25090 1/20 0.31
LMNA P02545 3/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
POLB P06746 1/20 0.30
THRB P10828 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
SCHEMBL11825177 0.79 KMT2A (0.50) KMT2AALDH1A1LMNATSHRPOLB
SCHEMBL7034425 0.72 POLB (0.34) KMT2ATSHRPOLB
SCHEMBL11833779 0.72 POLB (0.37) KMT2APOLB
SCHEMBL6549504 0.69 POLB (0.32) KMT2APOLB
SCHEMBL11835027 0.69 POLB (0.34) ALDH1A1SMN1; SMN2POLB
SCHEMBL11050666 0.68 TSHR (0.42) KMT2AALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL11822992 0.67 POLB (0.33) POLB
SCHEMBL2712956 0.66 PGR (0.35) KMT2AALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL11826548 0.65 GAA (0.40) TSHRCYP3A4L3MBTL1POLB
SCHEMBL11826187 0.62 NPSR1 (0.32) NPSR1

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-3971757-A STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1976-07-27 US disclosed