SCHEMBL6984076

SCHEMBL6984076

CC(C)(C)OC(=O)COc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.59
RAB9A P51151 2/20 0.55
HPGD P15428 4/20 0.52
KMT2A Q03164 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
ENPP2 Q13822 1/20 0.46

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
SCHEMBL8770708 0.88 PTGDR2 (0.47) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL7778630 0.85 MAPT (0.66) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL13623312 0.85 PTGDR2 (0.44) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL8770253 0.85 S1PR4 (0.49) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL12838161 0.85 KMT2A (0.49) MAPTSMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL3535207 0.83 MAPT (0.60) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL6814539 0.83 PTPN7 (0.49) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL17538570 0.82 MAPT (0.65) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL29028695 0.82 MAPT (0.61) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL2947864 0.81 LMNA (0.45) MAPTLMNASMN1; SMN2ALDH1A1RAB9A

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
EP-1030835-B1 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LTD (GB) 2003-01-22 EP disclosed
US-6344570-B1 ANTISTICKING AGENTS FOR CELLS ASTRAZENECA UK LIMITED (GB) 2002-02-05 US disclosed
EP-1030835-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca UK Limited (GB) 2000-08-30 EP disclosed
WO-1999024398-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-05-20 WO disclosed