SCHEMBL11684161

SCHEMBL11684161

C=CCOc1ccc(CC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 4/20 0.44
GAA P10253 5/20 0.43
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.41
ALPG P10696 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
SCHEMBL11681910 0.88 LMNA (0.48) ALDH1A1KDM4ETDP1LMNAGAA
SCHEMBL8114079 0.87 LMNA (0.42) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL11681032 0.86 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL3073577 0.85 TTR (0.48) ALDH1A1KDM4ETDP1LMNAGAA
SCHEMBL11680383 0.85 RAB9A (0.45) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL11680375 0.85 RAB9A (0.45) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL6990630 0.82 LMNA (0.58) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL3064637 0.82 MAPT (0.46) ALDH1A1KDM4ETDP1LMNAGAA
SCHEMBL30744071 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL28105959 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1MEN1KMT2A

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-4016193-A ANALGESICS, ANTIINFLAMMATORY AGENTS MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JA) 1977-04-05 US claimed
JP-52007935-A None JP disclosed
US-4016193-A ANALGESICS, ANTIINFLAMMATORY AGENTS MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JA) 1977-04-05 US disclosed
JP-S527935-A PREPARATION OF SUBSTITUTED PHENYLACETIC ACID DERIVATIVES MITSUBISHI PETROCHEM CO LTD 1977-01-21 JP disclosed