SCHEMBL9399218

SCHEMBL9399218

CCCCCc1ccc(-c2cnc(C(C)C3CCC(CCCCC)CC3)nc2)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CEL P19835 1/20 0.32
LNPEP Q9UIQ6 3/20 0.32
S1PR1 P21453 2/20 0.32
ADAMTS4 O75173 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
NMT1 P30419 1/20 0.30
GRM2 Q14416 3/20 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
SCHEMBL9398912 0.90 LNPEP (0.36) LNPEPADAMTS4GAAMAPT
SCHEMBL9399258 0.89 ADAMTS4 (0.32) LNPEPADAMTS4GAAMAPT
SCHEMBL9399392 0.89 LNPEP (0.33) LNPEPGAAMAPT
SCHEMBL9399404 0.86 S1PR1 (0.38) LNPEPS1PR1
SCHEMBL9399495 0.86 TRPV3 (0.38) S1PR1GRM2
SCHEMBL9399067 0.84 RAB9A (0.33) CELLNPEPGAAMAPT
SCHEMBL9399226 0.84 CEL (0.35) CELLNPEPS1PR1GAAMAPT
SCHEMBL9399221 0.84 CEL (0.35) CELLNPEPS1PR1GAAMAPT
SCHEMBL9398741 0.83 GAA (0.36) CELLNPEPS1PR1GAAMAPT
SCHEMBL9398730 0.83 GAA (0.36) CELLNPEPS1PR1GAAMAPT

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 7 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-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