SCHEMBL22201510

SCHEMBL22201510

CCCCCCCNC(=O)[C@@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CCC21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.71
▸ KARS1 Q15046 4/20 0.66
▸ RXRA P19793 1/20 0.66
▸ CCNE1 P24864 1/20 0.66
▸ CDK2 P24941 1/20 0.66
▸ RXRB P28702 1/20 0.66
▸ RXRG P48443 1/20 0.66
▸ CYP3A4 P08684 3/20 0.65
▸ LMNA P02545 1/20 0.65
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ PDK1 Q15118 1/20 0.56
▸ PDK2 Q15119 1/20 0.56
▸ PDK3 Q15120 1/20 0.56
▸ PDK4 Q16654 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ TP53 P04637 1/20 0.56

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
SCHEMBL11479109 1.00 TDP1 (0.71) TDP1KARS1RXRACCNE1CDK2
SCHEMBL22216691 0.92 TDP1 (0.70) TDP1KARS1RXRACCNE1CDK2
SCHEMBL22216690 0.90 TDP1 (0.68) TDP1KARS1RXRACCNE1CDK2
SCHEMBL20856932 0.89 TDP1 (0.67) TDP1KARS1RXRACCNE1CDK2
SCHEMBL20856811 0.89 KARS1 (0.69) TDP1KARS1RXRACCNE1CDK2
SCHEMBL22201722 0.89 TDP1 (0.57) TDP1KARS1RXRACCNE1CDK2
SCHEMBL20856814 0.87 KARS1 (0.66) TDP1KARS1RXRACCNE1CDK2
SCHEMBL20856826 0.87 KARS1 (0.71) TDP1KARS1RXRACCNE1CDK2
SCHEMBL20856953 0.86 KARS1 (0.65) TDP1KARS1RXRACCNE1CDK2
SCHEMBL19283114 0.85 KARS1 (0.74) TDP1KARS1RXRACCNE1CDK2

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
WO-2020140326-A1 ROSIN-BASED SMALL MOLECULE HYDROGEL AGENT AND APPLICATION THEREOF 江南大学 2020-07-09 — — WO disclosed
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