SCHEMBL8666465

SCHEMBL8666465

COCCC[C@H]1CC[C@H](C2CCC(=O)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.34
RAB9A P51151 1/20 0.34
TLR4 O00206 2/20 0.34
POLB P06746 1/20 0.32
S1PR1 P21453 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8666468 1.00 NAAA (0.34) NAAARAB9ATLR4POLBS1PR1
SCHEMBL9998106 0.89 NAAA (0.37) NAAARAB9ATLR4POLBS1PR1
SCHEMBL6734843 0.80 CYP1A2 (0.47) NAAATLR4POLB
SCHEMBL6752745 0.80 CYP1A2 (0.47) NAAATLR4POLB
SCHEMBL7782150 0.80 CYP1A2 (0.47) NAAATLR4POLB
SCHEMBL3947140 0.79
SCHEMBL6910065 0.79 CYP1A2 (0.46) NAAATLR4
SCHEMBL2892324 0.79 CYP1A2 (0.46) NAAATLR4
SCHEMBL1255189 0.79 CYP1A2 (0.46) NAAATLR4
SCHEMBL13378068 0.79 CYP1A2 (0.46) NAAATLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811029-A DIELECTRIC ANISOTROPY, CHEMICAL RESISTANCE, STORAGE STABILITY; ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-09-22 US disclosed
US-5389295-A Electrooptic display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0438575-B1 BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
US-5213710-A Benzene derivatives and a liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-05-25 US disclosed
WO-1991002710-A2 BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-07 WO disclosed