SCHEMBL566539

SCHEMBL566539

CC(C)N(C(=O)OCc1ccccc1[N+](=O)[O-])C(C)C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL18233941 0.88 MEN1 (0.48) MAOBPOLBCYP2C19MEN1KMT2A
SCHEMBL1104649 0.87 MAOB (0.56) MAOBPOLBCYP2C19MEN1KMT2A
SCHEMBL18233944 0.86 KMT2A (0.49) MAOBPOLBCYP2C19MEN1KMT2A
SCHEMBL18233943 0.86 MAOB (0.45) MAOBPOLBCYP2C19MEN1KMT2A
SCHEMBL16965628 0.85 P2RX4 (0.40) ALDH1A1HTT
SCHEMBL30273410 0.85 P2RX4 (0.40) ALDH1A1HTT
SCHEMBL18233949 0.84 MAOB (0.46) MAOBPOLBCYP2C19MEN1KMT2A
SCHEMBL20590967 0.84 MAOB (0.53) MAOBPOLBCYP2C19MEN1KMT2A
SCHEMBL18233938 0.84 MAOB (0.44) MAOBPOLBCYP2C19MEN1KMT2A
SCHEMBL18233961 0.84 POLB (0.50) MAOBPOLBCYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8795556-B2 Self-aligned permanent on-chip interconnect structure formed by pitch splitting INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-08-05 US disclosed
US-20120205818-A1 SELF-ALIGNED PERMANENT ON-CHIP INTERCONNECT STRUCTURE FORMED BY PITCH SPLITTING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-08-16 US disclosed
US-8232198-B2 Self-aligned permanent on-chip interconnect structure formed by pitch splitting INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-07-31 US disclosed
US-20120032336-A1 SELF-ALIGNED PERMANENT ON-CHIP INTERCONNECT STRUCTURE FORMED BY PITCH SPLITTING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-09 US disclosed