SCHEMBL7902044

SCHEMBL7902044

CC=CCC[C@H]1CC[C@H](C=CCC[C@H]2CC[C@H]([C@H]3CC[C@H](CCCCC)CC3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.32
FAAH O00519 1/20 0.30
MAPT P10636 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
SCHEMBL7902034 1.00 CYP1A2 (0.33) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL7909947 1.00 CYP1A2 (0.33) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL7902042 1.00 CYP1A2 (0.33) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL7909952 1.00 CYP1A2 (0.33) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL7909954 1.00 CYP1A2 (0.33) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL7909022 0.95 CYP1A2 (0.36) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL7909030 0.95 CYP1A2 (0.36) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL7909034 0.95 CYP1A2 (0.36) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL7909026 0.95 CYP1A2 (0.36) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL7909761 0.94 CYP1A2 (0.33) CYP1A2PKMHTTMEN1KMT2A

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
EP-0750028-B1 Alkenylcyclohexane derivatives, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2001-04-18 EP disclosed
US-5776367-A Alkenylcyclohexane derivatives, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-07-07 US disclosed
EP-0750028-A2 Alkenylcyclohexane derivatives, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-12-27 EP disclosed