SCHEMBL9646246

SCHEMBL9646246

CCCCCCCC1CCC([C@H]2CC[C@@](CCCCCC)(OCC)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.32
EPHX1 P07099 1/20 0.31
LSS P48449 2/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL9646692 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2HTTTP53
SCHEMBL9648065 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2HTTTP53
SCHEMBL9648057 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2HTTTP53
SCHEMBL9646682 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2HTTTP53
SCHEMBL9646669 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2HTTTP53
SCHEMBL9646253 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2HTTTP53
SCHEMBL9648125 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2HTTTP53
SCHEMBL9648405 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2HTTTP53
SCHEMBL9648593 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2HTTTP53
SCHEMBL9648607 1.00 MEN1 (0.35) MEN1KMT2ACYP1A2HTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107759-B1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS COMPONENTS FOR LIQUID CRYSTALS MERCK PATENT GmbH (DE) 1992-12-16 EP disclosed
US-5108652-A Liquid crystal dielectrics Merck patent Gesellschaft mit beschrankter Haftung Darmstadt (DE) 1992-04-28 US disclosed
US-4986931-A Cyclohexane derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-22 US disclosed
US-4510069-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-04-09 US disclosed