SCHEMBL16151449

SCHEMBL16151449

CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)OCC(O)COCc3ccc(Cc4ccc(OCC(O)COC(=O)C5(C)CCCC6(C)c7ccc(C(C)C)cc7CCC56)cc4)cc3)CCCC21C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.54
▸ CCNE1 P24864 2/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ RXRA P19793 1/20 0.54
▸ RXRB P28702 1/20 0.54
▸ RXRG P48443 1/20 0.54
▸ CYP3A4 P08684 4/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ PDK1 Q15118 1/20 0.49
▸ PDK2 Q15119 1/20 0.49
▸ PDK3 Q15120 1/20 0.49
▸ PDK4 Q16654 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL13454802 0.95 KARS1 (0.59) KARS1CCNE1CDK2RXRARXRB
SCHEMBL16151448 0.93 KARS1 (0.51) KARS1CCNE1CDK2RXRARXRB
SCHEMBL16151452 0.93 KARS1 (0.51) KARS1CCNE1CDK2RXRARXRB
SCHEMBL13454804 0.92 KARS1 (0.55) KARS1CCNE1CDK2RXRARXRB
SCHEMBL14826750 0.92 KARS1 (0.64) KARS1CCNE1CDK2RXRARXRB
SCHEMBL14652300 0.89 KARS1 (0.61) KARS1CCNE1CDK2RXRARXRB
SCHEMBL15132649 0.87 KARS1 (0.50) KARS1CCNE1CDK2RXRARXRB
SCHEMBL14649031 0.87 KARS1 (0.58) KARS1CCNE1CDK2RXRARXRB
SCHEMBL13454803 0.86 KARS1 (0.57) KARS1CCNE1CDK2RXRARXRB
SCHEMBL45827 0.86 KARS1 (0.57) KARS1CCNE1CDK2RXRARXRB

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-8852839-B2 Polyester for toner, electrostatic-image developing toner, electrostatic-image developer, toner cartridge, process cartridge, image-forming apparatus, and image-forming method FUJI XEROX CO., LTD. (JP) 2014-10-07 — — US disclosed
US-8852839-B2 Polyester for toner, electrostatic-image developing toner, electrostatic-image developer, toner cartridge, process cartridge, image-forming apparatus, and image-forming method FUJI XEROX CO., LTD. (JP) 2014-10-07 — — US disclosed
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