SCHEMBL8896153

SCHEMBL8896153

CC(C)C[C@H](OC(=O)N1CCCCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CTSK P43235 6/20 0.44
CTSL P07711 5/20 0.44
CTSS P25774 3/20 0.44
ACE2 Q9BYF1 1/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL8898649 1.00 CACNA1B (0.46) CACNA1BMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL8531114 1.00 CACNA1B (0.46) CACNA1BMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL9354940 0.86 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8681953 0.86 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8895893 0.83 RECQL (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8895811 0.79 CTSL (0.46) CACNA1BMEN1KMT2ARAB9ACTSK
SCHEMBL794423 0.78 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6557909 0.78 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4710641 0.78 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8612448 0.78 ALDH1A1 (0.56) KMT2ACTSKCTSLCTSSTDP1

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-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed