SCHEMBL7908266

SCHEMBL7908266

CCCC1CCC(C(=O)O[C@H]2CC[C@H](CCC)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.40
CYP2C9 P11712 2/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP19A1 P11511 1/20 0.35
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL11218030 1.00 NAAA (0.40) NAAACYP2C9POLBHPGDMAPT
SCHEMBL7900514 1.00 NAAA (0.40) NAAACYP2C9POLBHPGDMAPT
SCHEMBL10759371 1.00 NAAA (0.40) NAAACYP2C9POLBHPGDMAPT
SCHEMBL10416941 1.00 NAAA (0.40) NAAACYP2C9POLBHPGDMAPT
SCHEMBL7900518 1.00 NAAA (0.40) NAAACYP2C9POLBHPGDMAPT
SCHEMBL11040168 0.95 TLR4 (0.39) NAAACYP2C9POLBHPGDMAPT
SCHEMBL10844754 0.95 TLR4 (0.39) NAAACYP2C9POLBHPGDMAPT
SCHEMBL9502487 0.95 TLR4 (0.39) NAAACYP2C9POLBHPGDMAPT
SCHEMBL9561988 0.95 TLR4 (0.39) NAAACYP2C9POLBHPGDMAPT
SCHEMBL11039249 0.95 TLR4 (0.39) NAAACYP2C9POLBHPGDMAPT

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-6210760-B1 SHORT SWITCHING TIMES AND GRADIENTS AND ANGULAR DEPENDENCIES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-04-03 US disclosed
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US disclosed
EP-0597701-B1 Conjugated enyne derivative and liquid crystal composition CHISSO CORP (JP) 1997-04-16 EP disclosed
US-5387369-A With specified mixture of components; short switching times MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0597701-A1 Conjugated enyne derivative and liquid crystal composition CHISSO CORPORATION (JP) 1994-05-18 EP disclosed