SCHEMBL11241891

SCHEMBL11241891

CCCCCCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCCCC)CC4)cc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.50
CYP2C9 P11712 1/20 0.49
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR2 Q92731 1/20 0.45
SPHK2 Q9NRA0 7/20 0.43

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
SCHEMBL11190170 1.00 SPHK1 (0.50) SPHK1CYP2C9MAPTGAAALDH1A1
SCHEMBL11188896 1.00 SPHK1 (0.50) SPHK1CYP2C9MAPTGAAALDH1A1
SCHEMBL11241897 1.00 SPHK1 (0.50) SPHK1CYP2C9MAPTGAAALDH1A1
SCHEMBL11191518 1.00 SPHK1 (0.50) SPHK1CYP2C9MAPTGAAALDH1A1
SCHEMBL11191523 1.00 SPHK1 (0.50) SPHK1CYP2C9MAPTGAAALDH1A1
SCHEMBL11198137 1.00 SPHK1 (0.50) SPHK1CYP2C9MAPTGAAALDH1A1
SCHEMBL11190177 1.00 SPHK1 (0.50) SPHK1CYP2C9MAPTGAAALDH1A1
SCHEMBL11196951 1.00 SPHK1 (0.50) SPHK1CYP2C9MAPTGAAALDH1A1
SCHEMBL11190738 1.00 SPHK1 (0.50) SPHK1CYP2C9MAPTGAAALDH1A1
SCHEMBL11196945 1.00 SPHK1 (0.50) SPHK1CYP2C9MAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030277-B1 PARTIALLY HYDROGENATED OLIGO-1,4-PHENYLENES, DIELECTRICS CONTAINING THEM AND ELECTRO-OPTICAL INDICATING DEVICE MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed
US-4331552-A Liquid crystalline, partially hydrogenated oligo-1,4-phenylenes and dielectrics and electro-optical display elements containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-05-25 US disclosed
EP-0030277-A1 Partially hydrogenated oligo-1,4-phenylenes, dielectrics containing them and electro-optical indicating device MERCK PATENT GmbH (DE) 1981-06-17 EP disclosed