SCHEMBL11684128

SCHEMBL11684128

C=C(C)COc1ccc(C(CC)C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AKR1C3 P42330 6/20 0.43
AKR1C2 P52895 6/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
FFAR1 O14842 1/20 0.42
HTT P42858 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PTGS1 P23219 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLA2G4B P0C869 1/20 0.42
GRM8 O00222 3/20 0.41
GRM4 Q14833 3/20 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
SCHEMBL11682971 0.91 KMT2A (0.43) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL11683424 0.88 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL11679777 0.85 MEN1 (0.46) MEN1KMT2AAKR1C3AKR1C2ALDH1A1
SCHEMBL11680102 0.85 AKR1C3 (0.45) AKR1C3AKR1C2ALDH1A1KDM4ETDP1
SCHEMBL11680895 0.82 AKR1C3 (0.43) MEN1KMT2AAKR1C3AKR1C2ALDH1A1
SCHEMBL11680546 0.82 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL11683356 0.81 RAB9A (0.43) MEN1KMT2AAKR1C3AKR1C2ALDH1A1
SCHEMBL11683366 0.81 RAB9A (0.43) MEN1KMT2AAKR1C3AKR1C2ALDH1A1
SCHEMBL6023191 0.81 AKR1C3 (0.47) AKR1C3AKR1C2ALDH1A1KDM4ETDP1
SCHEMBL6023193 0.81 AKR1C3 (0.47) AKR1C3AKR1C2ALDH1A1KDM4ETDP1

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
US-4016193-A ANALGESICS, ANTIINFLAMMATORY AGENTS MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JA) 1977-04-05 US disclosed