SCHEMBL11199031

SCHEMBL11199031

COC(=O)Cc1c(C(=O)OC)ccn1CCCO

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
CYP4A11 Q02928 3/20 0.39
CYP4F2 P78329 2/20 0.39
NR4A2 P43354 2/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
BRD4 O60885 2/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CA2 P00918 1/20 0.34
CNR1 P21554 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
SCHEMBL11202548 0.96 GAA (0.39) GAACYP4A11CYP4F2NR4A2L3MBTL1
SCHEMBL10815985 0.92 CYP4F2 (0.41) GAACYP4A11CYP4F2NR4A2L3MBTL1
SCHEMBL11200164 0.88 GAA (0.39) GAACYP4A11CYP4F2NR4A2L3MBTL1
SCHEMBL11202739 0.86 GAA (0.39) GAACYP4A11CYP4F2NR4A2L3MBTL1
SCHEMBL10397397 0.84 GAA (0.38) GAACYP4A11CYP4F2NR4A2L3MBTL1
SCHEMBL10398085 0.84 GAA (0.38) GAACYP4A11CYP4F2NR4A2L3MBTL1
SCHEMBL10398506 0.84 GAA (0.38) GAACYP4A11CYP4F2NR4A2L3MBTL1
SCHEMBL11195432 0.82 GAA (0.36) GAANR4A2L3MBTL1KDM4EBRD4
SCHEMBL11195237 0.81 GAA (0.35) GAANR4A2L3MBTL1KDM4EBRD4
SCHEMBL3987342 0.79 KDM4E (0.41) GAACYP4A11CYP4F2NR4A2L3MBTL1

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-4410534-A 3-Substituted-5,6,7,8-tetrahydropyrrolo[1,2-a]-pyridine-and 6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]-azepine carboxylic acid derivatives useful as blood platelet aggregation inhibitors SYNTEX (U.S.A.) INC. (US) 1983-10-18 US disclosed