SCHEMBL9989649

SCHEMBL9989649

CCCN(C(=O)CC)N1CCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
TSHR P16473 1/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
CYP1A2 P05177 1/20 0.33
TP53 P04637 1/20 0.32
KMT2A Q03164 2/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL11242674 0.76 LMNA (0.40) LMNACA12CA1CA2CA3
SCHEMBL16908564 0.76 KDM4E (0.32) ALDH1A1RAB9A
SCHEMBL20243443 0.73 BRD4 (0.38) LMNACA12CA1CA2CA3
SCHEMBL11245719 0.72 LMNA (0.37) LMNACA12CA1CA2CA3
SCHEMBL5230712 0.70 BRD4 (0.35) LMNACA12CA1CA2CA3
SCHEMBL9587421 0.70 LMNA (0.38) LMNACA12CA1CA2CA3
SCHEMBL9628933 0.68 TSHR (0.45) LMNACA12CA1CA2CA3
SCHEMBL9434905 0.67 BRD4 (0.43) LMNACA12CA1CA2CA3
SCHEMBL15998842 0.67 KMT2A (0.47) TSHRKMT2APIK3CDALDH1A1RAB9A
SCHEMBL11513318 0.66 ALDH1A1 (0.40) CYP1A2KMT2AUSP2L3MBTL1ALDH1A1

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO claimed