SCHEMBL9498967

SCHEMBL9498967

CCCC1CCC([C@H]2CC[C@H](c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C9 P11712 2/20 0.51
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
ESR2 Q92731 3/20 0.41
HSD11B1 P28845 1/20 0.38
CYP2A6 P11509 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
KCNH2 Q12809 1/20 0.36
USP30 Q70CQ3 4/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL7902520 1.00 MEN1 (0.52) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL7509846 1.00 MEN1 (0.52) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL7902526 1.00 MEN1 (0.52) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL11043844 0.96 MEN1 (0.49) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL11043841 0.96 MEN1 (0.49) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL261024 0.95 MEN1 (0.56) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL1658450 0.95 MEN1 (0.56) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL7900601 0.94 MEN1 (0.55) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL10832031 0.94 MEN1 (0.55) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL7900597 0.94 MEN1 (0.55) MEN1MAPK1KMT2ACYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5188758-A Electrooptical display element using a supertwist liquid crystal having specified elastic constants MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1993-02-23 US disclosed
EP-0393442-A2 Liquid crystal supertwist display unit MERCK PATENT GmbH (DE) 1990-10-24 EP disclosed