SCHEMBL11513751

SCHEMBL11513751

NC(=O)CCC(CCCCCCCCSc1nnnn1-c1ccccc1)CC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ POLB P06746 4/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL10351823 0.87 ALDH1A1 (0.43) ALDH1A1L3MBTL1POLBMAPK1ATM
SCHEMBL11515018 0.80 HSD11B1 (0.36) ALDH1A1L3MBTL1POLBMAPK1ATM
SCHEMBL10970735 0.79 ALDH1A1 (0.84) ALDH1A1L3MBTL1POLBHPGDTSHR
SCHEMBL10575852 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1POLBMAPK1ATM
SCHEMBL18797457 0.74 POLB (0.68) ALDH1A1L3MBTL1POLBHPGDTSHR
SCHEMBL10970208 0.74 ALDH1A1 (0.71) ALDH1A1L3MBTL1POLBMAPK1HPGD
SCHEMBL17755396 0.73 ALDH1A1 (0.59) ALDH1A1L3MBTL1POLBHPGDTSHR
SCHEMBL10678708 0.73 ALDH1A1 (0.70) ALDH1A1L3MBTL1POLBHPGDTSHR
SCHEMBL18723118 0.73 ALDH1A1 (0.59) ALDH1A1L3MBTL1POLBMAPK1HPGD
SCHEMBL16522420 0.72 ALDH1A1 (0.61) ALDH1A1L3MBTL1POLBHPGDTSHR

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-4171975-A MAGENTA COUPLER AND AN AMIDE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-10-23 — — US disclosed
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