SCHEMBL7909217

SCHEMBL7909217

C=CCC[C@H]1CC[C@H](CCCCC2CCC([C@H]3CC[C@H](CCCCCCC)CC3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 3/20 0.39
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
EPHX1 P07099 1/20 0.36
TP53 P04637 1/20 0.35
LSS P48449 2/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7915737 1.00 TSHR (0.47) TSHRALDH1A1CYP1A2HTTMEN1
SCHEMBL7909198 1.00 TSHR (0.47) TSHRALDH1A1CYP1A2HTTMEN1
SCHEMBL7909227 1.00 TSHR (0.47) TSHRALDH1A1CYP1A2HTTMEN1
SCHEMBL7909204 1.00 TSHR (0.47) TSHRALDH1A1CYP1A2HTTMEN1
SCHEMBL7909210 1.00 TSHR (0.47) TSHRALDH1A1CYP1A2HTTMEN1
SCHEMBL7911896 1.00 TSHR (0.47) TSHRALDH1A1CYP1A2HTTMEN1
SCHEMBL7909233 1.00 TSHR (0.47) TSHRALDH1A1CYP1A2HTTMEN1
SCHEMBL7911908 1.00 TSHR (0.47) TSHRALDH1A1CYP1A2HTTMEN1
SCHEMBL7915731 1.00 TSHR (0.47) TSHRALDH1A1CYP1A2HTTMEN1
SCHEMBL7915721 1.00 TSHR (0.47) TSHRALDH1A1CYP1A2HTTMEN1

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