SCHEMBL9254543

SCHEMBL9254543

C=CCCCC1CCC(CCC2CCC(OC)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9254534 1.00 DAO (0.35) DAOALDH1A1TSHRCHRNB2CHRNA7
SCHEMBL9248491 0.93 DAO (0.33) DAOALDH1A1TSHRCHRNB2CHRNA7
SCHEMBL9248485 0.93 DAO (0.33) DAOALDH1A1TSHRCHRNB2CHRNA7
SCHEMBL9248497 0.93 DAO (0.33) DAOALDH1A1TSHRCHRNB2CHRNA7
SCHEMBL9250483 0.89 DAO (0.36) DAO
SCHEMBL9250476 0.89 DAO (0.36) DAO
SCHEMBL9254889 0.84 TSHR (0.35) ALDH1A1TSHRCHRNB2CHRNA7CHRNA4
SCHEMBL9254884 0.84 TSHR (0.35) ALDH1A1TSHRCHRNB2CHRNA7CHRNA4
SCHEMBL3940022 0.82
SCHEMBL9647226 0.81 ALDH1A1 (0.32) ALDH1A1TSHRCHRNB2CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5454974-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1995-10-03 US disclosed
US-5302317-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
EP-0315014-B1 Halogenated benzene derivatives HOFFMANN LA ROCHE (CH) 1994-01-12 EP disclosed
EP-0315050-B1 ALCENYL BICYCLOHEXANES F. HOFFMANN-LA ROCHE AG (CH) 1993-09-01 EP disclosed
US-5230826-A HALOBENZENE LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-07-27 US disclosed
US-5013477-A Alkenylbicyclohexane liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed
EP-0331933-A2 Liquid crystal mixture with a low optical anisotropy F. HOFFMANN-LA ROCHE AG (CH) 1989-09-13 EP disclosed
EP-0315014-A2 Halogenated benzene derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-05-10 EP disclosed
EP-0315050-A2 Alcenyl bicyclohexanes F. HOFFMANN-LA ROCHE AG (CH) 1989-05-10 EP disclosed