SCHEMBL7561699

SCHEMBL7561699

CCCCCc1ccc([C@H]2CC[C@H](C=CC3CCCCC3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.61
SPHK2 Q9NRA0 7/20 0.53
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7561697 1.00 SPHK1 (0.61) SPHK1SPHK2THRATHRBEPHX1
SCHEMBL7561692 1.00 SPHK1 (0.61) SPHK1SPHK2THRATHRBEPHX1
SCHEMBL7561686 1.00 SPHK1 (0.61) SPHK1SPHK2THRATHRBEPHX1
SCHEMBL5678879 0.86 SPHK1 (0.69) SPHK1SPHK2EPHX1EPHX2HRH3
SCHEMBL7556146 0.86 SPHK1 (0.58) SPHK1SPHK2
SCHEMBL7556142 0.86 SPHK1 (0.58) SPHK1SPHK2
SCHEMBL7556138 0.86 SPHK1 (0.58) SPHK1SPHK2
SCHEMBL8963215 0.86 SPHK1 (0.61) SPHK1SPHK2
SCHEMBL9476752 0.86 SPHK1 (0.61) SPHK1SPHK2
SCHEMBL9476764 0.86 SPHK1 (0.61) SPHK1SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885861-B1 LIQUID-CRYSTAL COMPOUNDS BEARING VINYL LINKAGES AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP SADAO NOGI (JP) 2002-07-31 EP disclosed
EP-0885861-A1 LIQUID-CRYSTAL COMPOUNDS BEARING VINYL LINKAGES AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (SADAO NOGI) (JP) 1998-12-23 EP disclosed