SCHEMBL9399258

SCHEMBL9399258

CCCCCc1ccc(-c2cnc(C(C)C3CCC(CCCCC)CC3)nc2)cc1Br

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
LNPEP Q9UIQ6 2/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9399218 0.89 CEL (0.32) ADAMTS4LNPEPGAAMAPT
SCHEMBL9398912 0.89 LNPEP (0.36) ADAMTS4MMP2MMP13MMP14LNPEP
SCHEMBL9399392 0.88 LNPEP (0.33) LNPEPGAAMAPT
SCHEMBL9399404 0.85 S1PR1 (0.38) LNPEP
SCHEMBL9398626 0.85 GAA (0.33) LNPEPGAAMAPT
SCHEMBL9399848 0.85 GAK (0.33) GAAMAPT
SCHEMBL9399271 0.84 GAA (0.32) LNPEPGAAMAPT
SCHEMBL9399262 0.84 GAA (0.32) LNPEPGAAMAPT
SCHEMBL9399320 0.83 GAA (0.36) LNPEPGAAMAPT
SCHEMBL9399328 0.83 GAA (0.36) LNPEPGAAMAPT

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