SCHEMBL29033699

SCHEMBL29033699

CC(C)(C)C(PC12CC3CC(CC(C3)C1)C2)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
EPHX1 P07099 1/20 0.36
SIGMAR1 Q99720 9/20 0.36
KMT2A Q03164 2/20 0.33
HSD11B1 P28845 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NTSR1 P30989 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ALDH1A1 P00352 1/20 0.32
FAAH O00519 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30498964 0.81
SCHEMBL6465662 0.75 EPHX2 (0.34) EPHX2EPHX1SIGMAR1HSD11B1
SCHEMBL5734633 0.69 GRIN2D (0.34) EPHX2EPHX1SIGMAR1HSD11B1ALDH1A1
SCHEMBL2012832 0.68 SIGMAR1 (0.42) EPHX2EPHX1SIGMAR1KMT2AMEN1
SCHEMBL4068587 0.67 HSD11B1 (0.30) HSD11B1
SCHEMBL30195756 0.65 SIGMAR1 (0.48) EPHX2EPHX1SIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL29033695 0.64 RIPK1 (0.35) LMNAATML3MBTL1
SCHEMBL29033706 0.64 RIPK1 (0.39) LMNAALDH1A1ATML3MBTL1
SCHEMBL27932323 0.64 EPHX2 (0.40) EPHX2MAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL28531066 0.62 SIGMAR1 (0.45) EPHX2EPHX1SIGMAR1KMT2ASMN1; SMN2

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
CN-116444563-A Novel method for synthesizing triphosphine ligand 广东欧凯新材料有限公司 2023-07-18 CN disclosed