SCHEMBL8876085

SCHEMBL8876085

CCC(=O)CC(=O)c1ccc(C)cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.66
NPC1 O15118 2/20 0.66
IDO1 P14902 2/20 0.57
TDO2 P48775 2/20 0.57
LMNA P02545 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
KCNH2 Q12809 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSP90AB1 P08238 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.47
PLG P00747 2/20 0.46
KLK1 P06870 2/20 0.46
KLK6 Q92876 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.43

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
SCHEMBL8465257 0.86 RAB9A (0.59) RAB9ANPC1IDO1TDO2LMNA
SCHEMBL9639259 0.85 HSP90AB1 (0.69) RAB9ANPC1IDO1TDO2LMNA
SCHEMBL31320843 0.82 RAB9A (0.70) RAB9ANPC1IDO1TDO2LMNA
SCHEMBL4225391 0.82 RAB9A (0.70) RAB9ANPC1IDO1TDO2LMNA
SCHEMBL8464964 0.82 RAB9A (0.70) RAB9ANPC1IDO1TDO2LMNA
SCHEMBL9637017 0.82 IDO1 (0.61) RAB9ANPC1IDO1TDO2LMNA
SCHEMBL24763383 0.81 HSP90AB1 (0.50) RAB9ANPC1IDO1TDO2LMNA
SCHEMBL3174922 0.80 NPC1 (0.66) RAB9ANPC1IDO1TDO2LMNA
SCHEMBL7942570 0.77 NPC1 (0.62) RAB9ANPC1IDO1TDO2LMNA
SCHEMBL7809188 0.76 HTT (0.66) RAB9ANPC1IDO1TDO2LMNA

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-5693627-A TREATING DISEASES SUCH AS LEUKEMIAS AND LYMPHOMAS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-12-02 US disclosed