SCHEMBL29787036

SCHEMBL29787036

CC(C)(C)c1cc(=O)oc2c3c4c(cc12)CCCN4CCC3

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.78
▸ MEN1 O00255 10/20 0.78
▸ USP2 O75604 8/20 0.78
▸ TDP1 Q9NUW8 3/20 0.78
▸ HTT P42858 2/20 0.78
▸ KEAP1 Q14145 1/20 0.78
▸ NFE2L2 Q16236 1/20 0.78
▸ GPR35 Q9HC97 1/20 0.78
▸ ALDH1A1 P00352 10/20 0.67
▸ CASP1 P29466 8/20 0.67
▸ CASP7 P55210 8/20 0.67
▸ KDM4E B2RXH2 7/20 0.67
▸ MAPT P10636 6/20 0.67
▸ GAA P10253 6/20 0.67
▸ LMNA P02545 6/20 0.67
▸ HPGD P15428 6/20 0.67
▸ HSD17B10 Q99714 6/20 0.67
▸ GLA P06280 3/20 0.67
▸ ATM Q13315 2/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.67

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
SCHEMBL194764 0.88 MEN1 (1.00) KMT2AMEN1USP2TDP1HTT
SCHEMBL31267435 0.88 MEN1 (1.00) KMT2AMEN1USP2TDP1HTT
SCHEMBL29440640 0.84 MEN1 (0.73) KMT2AMEN1USP2TDP1HTT
SCHEMBL394375 0.84 MEN1 (0.73) KMT2AMEN1USP2TDP1HTT
SCHEMBL19286498 0.81 MEN1 (0.53) KMT2AMEN1USP2TDP1HTT
SCHEMBL903151 0.81 ALDH1A1 (0.68) KMT2AMEN1USP2TDP1HTT
SCHEMBL1215495 0.80 KMT2A (0.67) KMT2AMEN1USP2TDP1HTT
SCHEMBL9557230 0.80 KMT2A (0.57) KMT2AMEN1USP2TDP1HTT
SCHEMBL15398417 0.80 ALDH1A1 (0.67) KMT2AMEN1USP2TDP1HTT
SCHEMBL14146535 0.80 ALDH1A1 (1.00) KMT2AMEN1USP2TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107209419-B Electro-optical switching element and display device 默克专利股份有限公司 2022-08-12 — — CN disclosed
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