SCHEMBL9737855

SCHEMBL9737855

CC(C)(C)ON1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(OC(C)(C)C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.35
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL15911950 0.88 ALDH1A1 (0.33) TBXAS1ALDH1A1LMNATSHRNFKB1
SCHEMBL993913 0.87 ALDH1A1 (0.35) TBXAS1ALDH1A1LMNATSHRNFKB1
SCHEMBL1138877 0.85 TBXAS1 (0.32) TBXAS1
SCHEMBL1888658 0.85 TSHR (0.38) TBXAS1ALDH1A1LMNATSHRNFKB1
SCHEMBL995190 0.85 GPR84 (0.33) TBXAS1ALDH1A1LMNATSHRNFKB1
SCHEMBL9739325 0.84 PTGER3 (0.34) TBXAS1ALDH1A1TSHR
SCHEMBL39320 0.84 TBXAS1 (0.31) TBXAS1
SCHEMBL9242329 0.84 EPHX2 (0.30)
SCHEMBL994981 0.83 PPARG (0.34) ALDH1A1TSHR
SCHEMBL9589736 0.83 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5096950-A N-alkoxypiperidines CIBA-GEIGY CORPORATION (US) 1992-03-17 US claimed
US-5004770-A Light, heat, and oxygen resistant CIBA-GEIGY CORPORATION (US) 1991-04-02 US claimed
US-5124378-A Resin containign N-Hydroxyl hindered amine oxidative and light stabilizers CIBA-GEIGY CORPORATION (US) 1992-06-23 US disclosed
US-5112890-A Piperidine compound with oxygen bonded to ring nitrogen CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-5004770-A Light, heat, and oxygen resistant CIBA-GEIGY CORPORATION (US) 1991-04-02 US disclosed