SCHEMBL6568394

SCHEMBL6568394

[CH]=C(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
TYR P14679 1/20 0.44
NR1H4 Q96RI1 4/20 0.44
EPHX2 P34913 2/20 0.44
ESRRB O95718 1/20 0.42
ESRRG P62508 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
NLRP3 Q96P20 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KCNH2 Q12809 1/20 0.40
TP53 P04637 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL9637962 0.78 LMNA (0.44) LMNATYRNR1H4EPHX2ESRRB
SCHEMBL4689867 0.78 NR1H4 (0.51) LMNANR1H4EPHX2ESRRBESRRG
SCHEMBL9525909 0.76 NR1H4 (0.53) LMNATYRNR1H4EPHX2ESRRB
SCHEMBL4742628 0.75 TP53 (0.42) LMNATYRNR1H4EPHX2ESRRB
SCHEMBL28058514 0.75 NR1H4 (0.41) LMNATYRNR1H4EPHX2ESRRB
SCHEMBL8038901 0.75 CYP2D6 (0.41) LMNANR1H4EPHX2ESRRGMAPT
SCHEMBL6566395 0.74 NR1H4 (0.51) LMNANR1H4EPHX2ESRRBESRRG
SCHEMBL11510766 0.74 NR1H4 (0.47) LMNATYRNR1H4EPHX2ESRRB
SCHEMBL840854 0.74 NR1H4 (0.70) LMNANR1H4EPHX2MAPTSMN1; SMN2
SCHEMBL4660516 0.74 NR1H4 (0.41) LMNATYRNR1H4EPHX2ESRRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887336-B1 Precursor compounds GIVAUDAN SA (CH) 2004-01-07 EP claimed
CN-112010881-B Alkenyl boron compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2021-09-03 CN disclosed
CN-112010881-A Alkenyl boron compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2020-12-01 CN disclosed
EP-0668904-B1 FABRIC SCENTING METHOD FIRMENICH & CIE (CH) 2001-11-07 EP disclosed
EP-0668904-A1 FABRIC SCENTING METHOD FIRMENICH SA (CH) 1995-08-30 EP disclosed
WO-1995004809-A1 FABRIC SCENTING METHOD FIRMENICH S.A. (CH) 1995-02-16 WO disclosed