SCHEMBL11208400

SCHEMBL11208400

CCCCCCCC[C@H]1CC[C@H](c2ccc([C@H]3CC[C@H](CCCCCC)CC3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.54
CYP2C9 P11712 1/20 0.53
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
ESR2 Q92731 1/20 0.49
GAA P10253 1/20 0.48
SPHK2 Q9NRA0 7/20 0.47

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
SCHEMBL11390489 1.00 SPHK1 (0.54) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11196171 1.00 SPHK1 (0.54) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11196181 1.00 SPHK1 (0.54) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11193637 1.00 SPHK1 (0.54) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11199904 1.00 SPHK1 (0.54) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11194095 1.00 SPHK1 (0.54) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11208419 1.00 SPHK1 (0.54) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11193199 1.00 SPHK1 (0.54) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11199910 1.00 SPHK1 (0.54) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11193204 1.00 SPHK1 (0.54) SPHK1CYP2C9MAPTALDH1A1LMNA

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