SCHEMBL7413899

SCHEMBL7413899

[CH2]CC(COCc1ccccc1)C(C)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
TACR1 P25103 4/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 2/20 0.37
SLC6A3 Q01959 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
HSP90AA1 P07900 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL9560694 0.77 LTA4H (0.43) ALDH1A1TSHRKMT2ASLC6A3MEN1
SCHEMBL3598592 0.72 CA1 (0.53) CA1CA2CA7CA9TACR1
SCHEMBL21239569 0.71 TSHR (0.56) CA1CA2CA7CA9TACR1
SCHEMBL30303100 0.71 PPARG (0.47) CA1CA2CA7CA9TACR1
SCHEMBL28590779 0.70 TSHR (0.54) CA1CA2CA7CA9TACR1
SCHEMBL4343354 0.69 TSHR (0.71) ALDH1A1TSHRKMT2AMEN1
SCHEMBL24398899 0.68 TACR1 (0.70) MMETACR1TSHR
SCHEMBL1925879 0.68 CA1 (0.56) CA1CA2CA7CA9TACR1
SCHEMBL13676863 0.68 IDO1 (0.48) CA1CA2
SCHEMBL8669243 0.68 CA1 (0.56) CA1CA2CA7CA9TACR1

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
WO-1992001672-A1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-02-06 WO claimed