SCHEMBL11270401

SCHEMBL11270401

[CH2]c1ccc([CH2])c(N2C(C)(C)CC(OC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2(C)C)c1N1C(C)(C)CC(OC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
SERPINE1 P05121 2/20 0.35
HTT P42858 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
MAOB P27338 3/20 0.33
F2R P25116 1/20 0.33
MEN1 O00255 1/20 0.33
TNFRSF1A P19438 1/20 0.33
BCHE P06276 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 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
SCHEMBL11457177 0.82 KMT2A (0.42) GAAKMT2AHTTALDH1A1LMNA
SCHEMBL7511680 0.82 GAA (0.48) TSHRGAAKMT2ASERPINE1HTT
SCHEMBL9400310 0.80 KMT2A (0.53) TSHRGAAKMT2ASERPINE1HTT
SCHEMBL9588684 0.80 TSHR (0.47) TSHRGAAKMT2ASERPINE1HTT
SCHEMBL1264011 0.78 TSHR (0.64) TSHRGAAKMT2ASERPINE1HTT
SCHEMBL10817965 0.77 GAA (0.58) TSHRGAAKMT2ASERPINE1HTT
SCHEMBL9382414 0.77 SERPINE1 (0.41) TSHRGAAKMT2ASERPINE1HTT
SCHEMBL11271389 0.77 TSHR (0.39) TSHRGAAKMT2ASERPINE1HTT
SCHEMBL9765824 0.76 GAA (0.43) TSHRGAAKMT2ASERPINE1HTT
SCHEMBL11459980 0.75 KMT2A (0.34) GAAKMT2AMAOBMEN1MAOA

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-0007533-B1 PIPERIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS STABILIZERS FOR SYNTHETIC POLYMERS CIBA-GEIGY AG (CH) 1982-09-22 EP disclosed
US-4234734-A 2,2,6,6-Tetramethylpiperidine derivatives CIBA-GEIGY CORPORATION (US) 1980-11-18 US disclosed
EP-0007533-A1 Piperidine derivatives, process for their preparation and their use as stabilizers for synthetic polymers CIBA-GEIGY AG (CH) 1980-02-06 EP disclosed