SCHEMBL8069014

SCHEMBL8069014

CCCC(=NOCC)C1=C(O)CC(c2c(C)c(C)c3c(c2Cl)CC(C)(C)C3)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8069011 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL8058990 0.93 MEN1 (0.40) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL8058988 0.93 MEN1 (0.40) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10503653 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10503659 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL8058622 0.84 RAB9A (0.38) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL8058627 0.84 RAB9A (0.38) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10679795 0.84 MEN1 (0.47) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10679800 0.84 MEN1 (0.47) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10704982 0.83 MEN1 (0.46) MEN1KMT2AALDH1A1HTTRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996006071-A1 NOVEL HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES AND THEIR PREPARATION PROCESS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-02-29 WO claimed
US-6096930-A PREPARATION OF 2-METHYLINDANECARBOXYALDEHYDES BY REACTING A MALONYL HALIDE WITH A BENZENE DERIVATIVE, REDUCTION OF THE FORMED INDANEDIONE, REACTION WITH DICHLOROMETHYL METHYL ETHER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-08-01 US disclosed
WO-1996006071-A1 NOVEL HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES AND THEIR PREPARATION PROCESS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-02-29 WO disclosed