SCHEMBL23930706

SCHEMBL23930706

COC(=O)CCCCC(F)(F)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 4/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.39
CES2 O00748 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MLYCD O95822 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL22309118 0.85 TSHR (0.52) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL22309985 0.83 TSHR (0.50) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL25754056 0.82 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL27351897 0.80 EPHX2 (0.39) KMT2AMEN1CES2
SCHEMBL21451771 0.80 TSHR (0.56) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL18992940 0.80 TSHR (0.56) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL3594253 0.80 TSHR (0.56) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL18992784 0.80 TSHR (0.56) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL25761572 0.79 TSHR (0.45) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL22309113 0.78 TSHR (0.54) TSHRLMNAALDH1A1RECQLKMT2A

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-2021215765-A1 3-AZABICYCLOALKYL DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 엘지화학 (KR) 2021-10-28 WO disclosed