SCHEMBL6830381

SCHEMBL6830381

CC(C)(C)OC(=O)NC[C@H](C(=O)NCCCCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
KDM4A O75164 1/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6827929 0.87 GAA (0.48) ALDH1A1KMT2ACNR1CNR2CYP2C9
SCHEMBL6832690 0.87 GAA (0.48) ALDH1A1KMT2ACNR1CNR2CYP2C9
SCHEMBL6827667 0.87 MGLL (0.52) ALDH1A1LMNAMAPTKMT2ACNR1
SCHEMBL7047054 0.87 ALDH1A1 (0.46) ALDH1A1KDM4APKMMAPTKMT2A
SCHEMBL6827733 0.83 KDM4A (0.47) KDM4AKMT2ASIGMAR1POLBCYP2D6
SCHEMBL6830781 0.82 MEN1 (0.48) ALDH1A1MAPTKMT2ACNR1CNR2
SCHEMBL6830751 0.82 KMT2A (0.43) ALDH1A1PKMLMNAMAPTKMT2A
SCHEMBL6831607 0.82 CRHBP (0.47) ALDH1A1LMNASMN1; SMN2SIGMAR1
SCHEMBL6800473 0.81 CTSS (0.58) ALDH1A1
SCHEMBL6800465 0.81 CTSS (0.58) ALDH1A1

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
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed