SCHEMBL8016597

SCHEMBL8016597

CCOC(=O)[N+](C)(C)C(=O)C1(c2ccc3c(c2)nc(Cc2ccc(C#N)cc2)n3C)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.46
F10 P00742 4/20 0.46
PLG P00747 3/20 0.46
ACSL1 P33121 4/20 0.43
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
RORC P51449 2/20 0.38
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
IDH1 O75874 1/20 0.34

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
Hydrochloric Acid SCHEMBL8028458 0.85 F2 (0.63) F2F10PLGACSL1PRSS1
SCHEMBL8016596 0.84 F2 (0.45) F2F10PLGACSL1PRSS1
SCHEMBL8016519 0.84 F2 (0.55) F2F10PLGACSL1PRSS1
SCHEMBL8016601 0.83 F2 (0.46) F2F10PLGACSL1PRSS1
SCHEMBL8032174 0.80 F2 (0.58) F2F10PLGACSL1PRSS1
SCHEMBL8027187 0.78 F2 (0.41) F2F10PLGACSL1PRSS1
Hydrochloric Acid SCHEMBL8029990 0.74 F2 (0.62) F2F10PLGPRSS1PRSS2
SCHEMBL7985234 0.74 F2 (0.69) F2F10PLGPRSS1PRSS2
SCHEMBL8032232 0.73 ACSL1 (0.42) F2F10PLGACSL1RORC
SCHEMBL7426925 0.72 F2 (0.72) F2F10PLGACSL1PRSS1

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-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed