SCHEMBL9723969

SCHEMBL9723969

CCCCC[C@H]1CC[C@H](OC(=O)Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.47
PKM P14618 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
CCR2 P41597 1/20 0.36

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
SCHEMBL8905030 1.00 NAAA (0.47) NAAAPKMHTTMEN1KMT2A
SCHEMBL8904490 0.98 NAAA (0.46) NAAAPKMHTTMEN1KMT2A
SCHEMBL8903306 0.95 NAAA (0.51) NAAAPKMHTTMEN1KMT2A
SCHEMBL8904486 0.87 NAAA (0.40) NAAAKMT2ACYP2C9MAPTPOLB
SCHEMBL11006105 0.87 NAAA (0.40) NAAAKMT2ACYP2C9MAPTPOLB
SCHEMBL7880283 0.84 NAAA (0.48) NAAAPKMHTTMEN1KMT2A
SCHEMBL10680255 0.83 NAAA (0.47) NAAAPKMHTTMEN1KMT2A
SCHEMBL10680270 0.83 NAAA (0.47) NAAAPKMHTTMEN1KMT2A
SCHEMBL11503016 0.83 NAAA (0.47) NAAAPKMHTTMEN1KMT2A
SCHEMBL11128540 0.83 TLR4 (0.43) NAAAKMT2ACYP2C9MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766450-B1 SUBSTITUTED AMINO ALCOHOLS AS CHIRAL DOPANTS FRAUNHOFER GES FORSCHUNG (DE) 2018-12-12 EP disclosed
EP-2766450-A1 SUBSTITUTED AMINO ALCOHOLS AS CHIRAL DOPANTS FRAUNHOFER-GESELLSCHAFT zur Förderung der angewandten Forschung e.V. (DE) 2014-08-20 EP disclosed
WO-2013053752-A1 SUBSTITUTED AMINO ALCOHOLS AS CHIRAL DOPANTS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2013-04-18 WO disclosed
EP-0313604-B1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1992-03-25 EP disclosed
EP-0313604-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1989-05-03 EP disclosed
WO-1988008441-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-11-03 WO disclosed