SCHEMBL20175324

SCHEMBL20175324

CC(C)c1ccc2c(c1)CCC1CC(C(=O)OCC(COC(=O)C3(C)CCC4(C)c5ccc(C(C)C)cc5CCC4C3)(COC(=O)C3(C)CCCC4(C)c5ccc(C(C)C)cc5CCC34)COC(=O)C3(C)CCCC4(C)c5ccc(C(C)C)cc5CCC34)CCC21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 5/20 0.46
▸ CDK2 P24941 5/20 0.46
▸ KARS1 Q15046 4/20 0.46
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.40
▸ SOD1 P00441 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL16641767 0.91 CCNE1 (0.47) CCNE1CDK2KARS1RXRARXRB
SCHEMBL16640720 0.90 KARS1 (0.52) CCNE1CDK2KARS1RXRARXRB
SCHEMBL16640719 0.85 KARS1 (0.49) CCNE1CDK2KARS1RXRARXRB
SCHEMBL16640736 0.85 KARS1 (0.56) CCNE1CDK2KARS1RXRARXRB
SCHEMBL16644801 0.81 KARS1 (0.62) CCNE1CDK2KARS1RXRARXRB
SCHEMBL20067223 0.80 KARS1 (0.71) CCNE1CDK2KARS1RXRARXRB
SCHEMBL20061638 0.80 KARS1 (0.71) CCNE1CDK2KARS1RXRARXRB
SCHEMBL20055021 0.80 KARS1 (0.71) CCNE1CDK2KARS1RXRARXRB
SCHEMBL16641991 0.80 KARS1 (0.47) CCNE1CDK2KARS1RXRARXRB
SCHEMBL16640721 0.80 KARS1 (0.48) CCNE1CDK2KARS1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180143548-A1 COLD PRESSURE FIX TONER COMPOSITIONS BASED ON SMALL MOLECULE CRYSTALLINE AND AMORPHOUS ORGANIC COMPOUND MIXTURES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2018-05-24 — — US disclosed
US-20180143548-A1 COLD PRESSURE FIX TONER COMPOSITIONS BASED ON SMALL MOLECULE CRYSTALLINE AND AMORPHOUS ORGANIC COMPOUND MIXTURES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2018-05-24 — — US disclosed
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