SCHEMBL7913856

SCHEMBL7913856

CCCCCC1CCC(OC(=O)[C@]2(CCCC)CC[C@H](C3CCCCC3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.40
CYP1A2 P05177 2/20 0.36
CCR2 P41597 1/20 0.33
PKM P14618 1/20 0.33
CPB2 Q96IY4 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
TP53 P04637 1/20 0.32
EPHX1 P07099 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL7900588 0.95 NAAA (0.40) NAAACYP1A2CCR2PKMCPB2
SCHEMBL7910467 0.94 NAAA (0.38) NAAACYP1A2CPB2HTTCYP2C19
SCHEMBL10383950 0.94 NAAA (0.38) NAAACYP1A2CPB2HTTCYP2C19
SCHEMBL7910495 0.86 NAAA (0.34) NAAACPB2CYP2C19EPHX1
SCHEMBL11097035 0.86 NAAA (0.43) NAAACYP1A2HTTCYP2C19CYP4F2
SCHEMBL8413840 0.82 NAAA (0.39) NAAACYP1A2CCR2PKMMEN1
SCHEMBL9758882 0.81 CYP4F2 (0.44) NAAACYP1A2CCR2PKMMEN1
SCHEMBL9758136 0.80 CYP4F2 (0.47) NAAACYP1A2CCR2PKMMEN1
SCHEMBL9757769 0.80 CYP4F2 (0.47) NAAACYP1A2CCR2PKMMEN1
SCHEMBL9759157 0.80 CYP4F2 (0.47) NAAACYP1A2CCR2PKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6210760-B1 SHORT SWITCHING TIMES AND GRADIENTS AND ANGULAR DEPENDENCIES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-04-03 US disclosed
US-5387369-A With specified mixture of components; short switching times MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5030383-A With low temperature dependence of threshold voltage MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-07-09 US disclosed
US-4985583-A Liquid Crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-15 US disclosed
US-4877547-A Liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-10-31 US disclosed
US-4871472-A Esters in ferroelectric mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-10-03 US disclosed
US-4737311-A Liquid crystal phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-04-12 US disclosed
US-4726911-A Heterocyclic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-02-23 US disclosed
US-4719032-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-01-12 US disclosed
US-4622163-A Anisotropic compounds and liquid crystal mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-11 US disclosed