SCHEMBL7513133

SCHEMBL7513133

Nc1ccc(C[C@@H](O)C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
KDM6B O15054 1/20 0.50
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44
ADRB2 P07550 1/20 0.40

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
SCHEMBL7513136 1.00 LMNA (0.53) LMNAKDM6BMAPTTDP1MEN1
SCHEMBL13410533 0.85 TDP1 (0.53) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL7675848 0.84 KDM6B (0.64) LMNAKDM6BMAPTTDP1ALDH1A1
SCHEMBL7675842 0.84 KDM6B (0.64) LMNAKDM6BMAPTTDP1ALDH1A1
SCHEMBL13536803 0.82 MAPT (0.55) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL16431385 0.81 KDM6B (0.64) KDM6BTDP1ALOX15MAPK1
SCHEMBL4855639 0.78 LMNA (0.58) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL4855650 0.78 LMNA (0.58) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL10438568 0.78 TSHR (0.54) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL1857686 0.78 LMNA (0.50) LMNAKDM6BTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634408-B1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-01-02 EP disclosed
US-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed
EP-0634408-A1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-18 EP disclosed