SCHEMBL9399189

SCHEMBL9399189

CCCCCc1ccc(-c2cnc([C@H]3CC[C@H](CCCCC)CC3)nc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
MAPT P10636 2/20 0.36
LNPEP Q9UIQ6 7/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRIN2B Q13224 1/20 0.32
RARB P10826 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CNR2 P34972 1/20 0.31
CYP3A4 P08684 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
SCHEMBL9399201 1.00 GAA (0.36) GAAMAPTLNPEPMEN1KMT2A
SCHEMBL9398741 0.89 GAA (0.36) GAAMAPTLNPEPMEN1KMT2A
SCHEMBL9398730 0.89 GAA (0.36) GAAMAPTLNPEPMEN1KMT2A
SCHEMBL9399328 0.88 GAA (0.36) GAAMAPTLNPEPMEN1KMT2A
SCHEMBL9399320 0.88 GAA (0.36) GAAMAPTLNPEPMEN1KMT2A
SCHEMBL9399385 0.88 FFAR4 (0.37) GAAMAPTLNPEPMEN1KMT2A
SCHEMBL9399372 0.88 FFAR4 (0.37) GAAMAPTLNPEPMEN1KMT2A
SCHEMBL9398920 0.87 LNPEP (0.35) GAAMAPTLNPEPMEN1KMT2A
SCHEMBL9398924 0.87 LNPEP (0.35) GAAMAPTLNPEPMEN1KMT2A
SCHEMBL9398832 0.85 IKBKE (0.37) GAAMAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed
EP-0084194-B1 LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1986-04-30 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed