SCHEMBL9399259

SCHEMBL9399259

CCCCCCCC(=O)Oc1ccc(CC[C@H]2CC[C@H](CCCCC)CC2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTR1A P08908 1/20 0.44
HTR1B P28222 1/20 0.44
CNR2 P34972 7/20 0.42
CNR1 P21554 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA2 P00918 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL9398985 1.00 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL9399215 0.96 HTR1A (0.41) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL9399976 0.94 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL9433351 0.90 HTR1A (0.42) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL9432911 0.86 KMT2A (0.40) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL9775714 0.85 HPGD (0.45) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL9399545 0.83 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL9398656 0.82 CNR2 (0.45) MAPK1TDP1HTR1AHTR1BCNR2
SCHEMBL11851121 0.81 HPGD (0.53) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL9399835 0.81 CNR2 (0.47) MAPK1TDP1HTR1AHTR1BCNR2

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