SCHEMBL9736787

SCHEMBL9736787

CC(=O)ON1C(C)(C)CC(c2ccc(C(=O)O)c(C(=O)O)c2C2CC(C)(C)N(OC(C)=O)C(C)(C)C2)CC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.31
GAA P10253 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
SCHEMBL9737841 0.91 TSHR (0.46) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL11287699 0.84 ESR1 (0.33) ESR1
SCHEMBL317241 0.83 GAA (0.34) KMT2AALDH1A1GAA
SCHEMBL9738159 0.81 ACHE (0.37)
SCHEMBL17838616 0.80 GAA (0.32) KMT2AALDH1A1GAA
SCHEMBL10579305 0.80
SCHEMBL9739312 0.80 TSHR (0.33) TSHRKMT2AALDH1A1MEN1
SCHEMBL9589149 0.79 MAPT (0.30)
SCHEMBL9244707 0.79 NPC1 (0.30) KMT2AMEN1GAA
SCHEMBL9589144 0.79 MAPT (0.30)

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 6 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-5096950-A N-alkoxypiperidines CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
US-5004770-A Light, heat, and oxygen resistant CIBA-GEIGY CORPORATION (US) 1991-04-02 US disclosed