SCHEMBL7517447

SCHEMBL7517447

CCCCCCCCOc1ccc(NC(=O)COC)c(OCCCCCCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
PLA2G4B P0C869 1/20 0.45
PLK1 P53350 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL8360840 0.90 KMT2A (0.60) KMT2ANPSR1ALDH1A1MEN1PLA2G4B
SCHEMBL2095923 0.86 PLK1 (0.50) KMT2AMEN1THRATHRBPLK1
SCHEMBL7789182 0.84 LMNA (0.50) PLK1TP53TSHR
SCHEMBL2095920 0.81 PLK1 (0.48) PLK1TP53TSHR
SCHEMBL7514252 0.79 THRA (0.62) KMT2AALDH1A1MEN1THRATHRB
SCHEMBL7084282 0.76 ALDH1A1 (0.47) KMT2AALDH1A1MEN1TP53TSHR
SCHEMBL26355067 0.76 MAOA (0.60) KMT2AALDH1A1MEN1THRATHRB
SCHEMBL19549621 0.76 MAOA (0.60) KMT2AALDH1A1MEN1THRATHRB
SCHEMBL2094905 0.76 ALDH1A1 (0.79) KMT2ANPSR1NPC1RAB9AALDH1A1
SCHEMBL7501359 0.75 ALDH1A1 (0.52) KMT2AALDH1A1MEN1THRBHPGD

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-0899614-B1 Image recording material FUJI PHOTO FILM CO LTD (JP) 2002-01-09 EP disclosed
US-6162574-A Image recording material FUJI PHOTO FILM CO., LTD. (JP) 2000-12-19 US disclosed
EP-0899614-A1 Image recording material Fuji Photo Film Co., Ltd. (JP) 1999-03-03 EP disclosed