SCHEMBL9736982

SCHEMBL9736982

CC1(C)CC(C(CCCC(C(=O)O)C(=O)O)C2CC(C)(C)N(OC(N)=O)C(C)(C)C2)CC(C)(C)N1OC(N)=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.30
KMT2A Q03164 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
SCHEMBL10598666 0.85
SCHEMBL317669 0.80 GAA (0.32)
SCHEMBL14053906 0.80 TSHR (0.38) TSHR
SCHEMBL9737332 0.79 ACHE (0.35)
SCHEMBL7195994 0.72 HTT (0.35) TSHRKMT2A
SCHEMBL9440047 0.71 ALDH1A1 (0.38) TSHRKMT2A
SCHEMBL9736972 0.67
SCHEMBL9244115 0.65 KMT2A (0.45) TSHRKMT2A
SCHEMBL10708418 0.63 KMT2A (0.47) TSHRKMT2A
SCHEMBL7743476 0.62 TSHR (0.38) TSHR

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