SCHEMBL9399474

SCHEMBL9399474

CCCCCc1ncc(-c2ccc(OCCCC)c(F)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR5 Q9H228 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
RARB P10826 3/20 0.39
RARA P10276 2/20 0.39
TLR7 Q9NYK1 1/20 0.39
RARG P13631 1/20 0.39
GAK O14976 1/20 0.38
MGLL Q99685 4/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN11 Q06124 1/20 0.37
S1PR2 O95136 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL9399953 0.99 S1PR1 (0.43) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9398905 0.96 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9399841 0.85 TLR7 (0.43) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9399834 0.85 TLR7 (0.43) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9399140 0.85 RAB9A (0.53) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9399213 0.85 NPC1 (0.47) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9398886 0.85 RARB (0.41) RARBRARARARGSMN1; SMN2MAPT
SCHEMBL9399572 0.84 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9399068 0.84 SMN1; SMN2 (0.49) S1PR1THRATHRBGAKGLA
SCHEMBL9399538 0.83 RARB (0.43) RARBRARARARGMGLLSMN1; SMN2

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